⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1289911 | 0.83 | — | — | |
| SCHEMBL491155 | 0.73 | — | — | |
| SCHEMBL27783394 | 0.73 | — | — | |
| SCHEMBL147664 | 0.71 | — | — | |
| SCHEMBL14813859 | 0.71 | — | — | |
| SCHEMBL1043398 | 0.71 | — | — | |
| SCHEMBL5451540 | 0.71 | — | — | |
| SCHEMBL5133636 | 0.71 | SOAT1 (0.37) | — | |
| SCHEMBL14842937 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL1899759 | 0.69 | ALDH1A1 (0.47) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 110 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427456-B1 | ISOXAZOLE-PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-02-05 | — | — | EP | claimed |
| US-9932335-B2 | Pyrrolopyridine or pyrazolopyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2018-04-03 | — | — | US | claimed |
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | claimed |
| EP-2427459-B1 | ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS | HOFFMANN LA ROCHE (CH) | 2016-09-28 | — | — | EP | claimed |
| US-20160194321-A1 | PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2016-07-07 | — | — | US | claimed |
| EP-3039024-A1 | PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-07-06 | — | — | EP | claimed |
| WO-2015028483-A1 | PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-03-05 | — | — | WO | claimed |
| US-8658646-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LAROCHE INC. (US) | 2014-02-25 | — | — | US | claimed |
| US-8415379-B2 | Pyridines | HOFFMANN-LA ROCHE INC. (US) | 2013-04-09 | — | — | US | claimed |
| EP-2571880-A1 | PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-27 | — | — | EP | claimed |
| US-8399462-B2 | 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain | ROCHE PALO ALTO LLC (US) | 2013-03-19 | — | — | US | claimed |
| US-8178522-B2 | Thiazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-05-15 | — | — | US | claimed |
| WO-2010127974-A1 | ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | claimed |
| US-20100286116-A1 | THIAZOLES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | US | claimed |
| US-20100286132-A1 | PYRIDINES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | US | claimed |
| EP-2102194-A1 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | F. Hoffmann-Roche AG (CH) | 2009-09-23 | — | — | EP | claimed |
| WO-2008068171-A9 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | HOFFMANN LA ROCHE (CH) | 2009-07-16 | — | — | WO | claimed |
| US-20080146565-A1 | JNK modulators | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | claimed |
| WO-2008068171-A1 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-12 | — | — | WO | claimed |
| US-11746091-B2 | Cannabinoid receptor modulators | ARENA PHARMACEUTICALS, INC. (US) | 2023-09-05 | — | — | US | disclosed |
| US-20230190730-A1 | 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT | JAPAN TOBACCO INC. (JP) | 2023-06-22 | — | — | US | disclosed |
| US-20230033510-A1 | Compounds and Methods for Treatment of Visceral Pain | ARENA PHARMACEUTICALS, INC. | 2023-02-02 | — | — | US | disclosed |
| US-11214548-B2 | Cannabinoid receptor modulators | ARENA PHARMACEUTICALS, INC. (US) | 2022-01-04 | — | — | US | disclosed |
| US-20210188781-A1 | CANNABINOID RECEPTOR MODULATORS | ARENA PHARMACEUTICALS, INC. | 2021-06-24 | — | — | US | disclosed |
| US-20200101061-A1 | 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT | JAPAN TOBACCO INC. (JP) | 2020-04-02 | — | — | US | disclosed |
| US-20200078358-A1 | Compounds and Methods for Treatment of Visceral Pain | ARENA PHARMACEUTICALS, INC. | 2020-03-12 | — | — | US | disclosed |
| EP-2427456-B1 | ISOXAZOLE-PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-02-05 | — | — | EP | disclosed |
| CN-110709085-A | Compounds and methods for treating visceral pain | 艾尼纳制药公司 | 2020-01-17 | — | — | CN | disclosed |
| US-20180354907-A1 | CANNABINOID RECEPTOR MODULATORS | ARENA PHARMACEUTICALS, INC. | 2018-12-13 | — | — | US | disclosed |
| EP-3406596-A1 | 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | Japan Tobacco Inc. (JP) | 2018-11-28 | — | — | EP | disclosed |
| US-20180265454-A1 | Method for Producing 4-Oxoquinoline Compound | JAPAN TOBACCO INC. (JP) | 2018-09-20 | — | — | US | disclosed |
| EP-3363788-A1 | CANNABINOID RECEPTOR MODULATORS | Arena Pharmaceuticals, Inc. (US) | 2018-08-22 | — | — | EP | disclosed |
| US-9944606-B2 | Cannabinoid receptor modulators | ARENA PHARMACEUTICALS, INC. (US) | 2018-04-17 | — | — | US | disclosed |
| US-9932335-B2 | Pyrrolopyridine or pyrazolopyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2018-04-03 | — | — | US | disclosed |
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |
| EP-2427459-B1 | ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS | HOFFMANN LA ROCHE (CH) | 2016-09-28 | — | — | EP | disclosed |
| US-20160194321-A1 | PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2016-07-07 | — | — | US | disclosed |
| EP-3039024-A1 | PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-07-06 | — | — | EP | disclosed |
| US-9168255-B2 | Quinazoline compounds as sodium channel blockers | PURDUE PHARMA L.P. (US) | 2015-10-27 | — | — | US | disclosed |
| US-20150299104-A1 | METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND | JAPAN TOBACCO INC (JP) | 2015-10-22 | — | — | US | disclosed |
| US-20150250789-A1 | QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. | 2015-09-10 | — | — | US | disclosed |
| EP-1992607-B9 | METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND | JAPAN TOBACCO INC (JP) | 2015-07-01 | — | — | EP | disclosed |
| US-20150174117-A1 | 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT | JAPAN TOBACCO INC. | 2015-06-25 | — | — | US | disclosed |
| US-9045435-B2 | Quinazoline compounds as sodium channel blockers | PURDUE PHARMA, L.P. (US) | 2015-06-02 | — | — | US | disclosed |
| EP-2625169-B1 | QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA LP (US) | 2015-03-25 | — | — | EP | disclosed |
| WO-2015028483-A1 | PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-03-05 | — | — | WO | disclosed |
| EP-1992607-B1 | METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND | JAPAN TOBACCO INC (JP) | 2014-12-31 | — | — | EP | disclosed |
| EP-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| US-8778950-B2 | Cannabinoid receptor modulators | ARENA PHARMACEUTICALS, INC. (US) | 2014-07-15 | — | — | US | disclosed |
| US-20140155376-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2014-06-05 | — | — | US | disclosed |
| US-8658646-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LAROCHE INC. (US) | 2014-02-25 | — | — | US | disclosed |
| US-20130310595-A1 | Method for Producing 4-Oxoquinoline Compound | JAPAN TOBACCO INC. (JP) | 2013-11-21 | — | — | US | disclosed |
| US-20130289044-A1 | Quinazoline Compounds as Sodium Channel Blockers | PURDUE PHARMA L.P. (US) | 2013-10-31 | — | — | US | disclosed |
| EP-2625169-A1 | QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS | Purdue Pharma L.P. (US) | 2013-08-14 | — | — | EP | disclosed |
| US-20130172344-A1 | 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC. | 2013-07-04 | — | — | US | disclosed |
| US-20130165412-A1 | CANNABINOID RECEPTOR MODULATORS | ARENA PHARMACEUTICALS, INC. | 2013-06-27 | — | — | US | disclosed |
| CN-103168033-A | Quinazoline compounds as sodium channel blockers | PURDUE PHARMA LP | 2013-06-19 | — | — | CN | disclosed |
| US-8415379-B2 | Pyridines | HOFFMANN-LA ROCHE INC. (US) | 2013-04-09 | — | — | US | disclosed |
| EP-2571880-A1 | PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-27 | — | — | EP | disclosed |
| US-8399462-B2 | 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain | ROCHE PALO ALTO LLC (US) | 2013-03-19 | — | — | US | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |
| US-20130059834-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. | 2013-03-07 | — | — | US | disclosed |
| US-8383819-B2 | Method for producing 4-oxoquinoline compound | JAPAN TOBACCO INC. (JP) | 2013-02-26 | — | — | US | disclosed |
| US-20120214766-A1 | CANNABINOID RECEPTOR MODULATORS | ARENA PHARMACEUTICALS, INC. | 2012-08-23 | — | — | US | disclosed |
| US-8232401-B2 | Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | JAPAN TOBACCO INC. (JP) | 2012-07-31 | — | — | US | disclosed |
| EP-2470508-A1 | CANNABINOID RECEPTOR MODULATORS | Arena Pharmaceuticals, Inc. (US) | 2012-07-04 | — | — | EP | disclosed |
| US-8178522-B2 | Thiazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-05-15 | — | — | US | disclosed |
| WO-2012046132-A1 | QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. (US) | 2012-04-12 | — | — | WO | disclosed |
| EP-2368880-A1 | 6-(Heterocycle-Substituted Benzyl)-4-Oxoquinoline Compound and Use of the Same as HIV Integrase Inhibitor | Japan Tobacco, Inc. (JP) | 2011-09-28 | — | — | EP | disclosed |
| US-7872004-B2 | 6-(heterocyclyl-substituted benzyl)-4-oxoquinoline compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2011-01-18 | — | — | US | disclosed |
| EP-2272516-A2 | 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor | Japan Tobacco, Inc. (JP) | 2011-01-12 | — | — | EP | disclosed |
| WO-2010127974-A1 | ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |
| US-20100286115-A1 | PYRAZOLES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | US | disclosed |
| US-20100286116-A1 | THIAZOLES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | US | disclosed |
| US-20100286132-A1 | PYRIDINES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | US | disclosed |
| WO-2010127976-A1 | ISOXAZOLE-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |
| US-7745459-B2 | Quinolizinone compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2010-06-29 | — | — | US | disclosed |
| EP-1564210-B9 | 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS | JAPAN TOBACCO INC (JP) | 2010-03-31 | — | — | EP | disclosed |
| EP-2161258-A2 | 4-oxoquinoline compound and use thereof as hiv integrase inhibitor | Japan Tabacco Inc. (JP) | 2010-03-10 | — | — | EP | disclosed |
| US-7671080-B2 | 1-benzylindole-2-carboxamide derivatives | N.V. ORGANON (NL) | 2010-03-02 | — | — | US | disclosed |
| US-7655641-B2 | Sulfonamide derivatives as PPAR modulators | ELI LILLY AND COMPANY (US) | 2010-02-02 | — | — | US | disclosed |
| EP-1564210-B1 | 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS | JAPAN TOBACCO INC (JP) | 2009-09-16 | — | — | EP | disclosed |
| US-7538132-B2 | Isoxazolo derivatives | HOFFMAN-LA ROCHE INC. (US) | 2009-05-26 | — | — | US | disclosed |
| EP-2033954-A1 | 6-(HETEROCYCLE-SUBSTITUTED BENZYL)-4-OXOQUINOLINE COMPOUND AND USE OF THE SAME AS HIV INTEGRASE INHIBITOR | Japan Tobacco, Inc. (JP) | 2009-03-11 | — | — | EP | disclosed |
| US-20090036684-A1 | METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND | SHIONOGI & CO., LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1931661-B1 | ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS | HOFFMANN LA ROCHE (CH) | 2008-11-19 | — | — | EP | disclosed |
| EP-1992607-A1 | METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND | Japan Tobacco, Inc. (JP) | 2008-11-19 | — | — | EP | disclosed |
| US-20080280923-A1 | 1-Benzylindole-2-Carboxamide Derivatives | N.V. ORGANON (NL) | 2008-11-13 | — | — | US | disclosed |
| US-20080207618-A1 | 6- (Heterocyclyl-substituted Benzyl) -4-Oxoquinoline Compound and Use Thereof as HIV Integrase Inhibitor | JAPAN TOBACCO INC. (JP) | 2008-08-28 | — | — | US | disclosed |
| US-20080146565-A1 | JNK modulators | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | disclosed |
| EP-1644318-B1 | METHOD FOR SYNTHESIZING CERAMIDE-TYPE COMPOUNDS | BIOCHIMIE APPLIQUEE SA SOLABIA (FR) | 2008-05-07 | — | — | EP | disclosed |
| CN-100375742-C | 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors | JAPAN TOBACCO INC (JP) | 2008-03-19 | — | — | CN | disclosed |
| US-7344868-B2 | Method for synthesizing ceramide-type compounds | LASSALLE LAURENT | 2008-03-18 | — | — | US | disclosed |
| EP-1871770-A1 | ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS | Kalypsys, Inc. (US) | 2008-01-02 | — | — | EP | disclosed |
| EP-1597248-B1 | SULFONAMIDE DERIVATIVES AS PPAR MODULATORS | LILLY CO ELI (US) | 2007-12-26 | — | — | EP | disclosed |
| US-20070066668-A1 | Isoxazolo derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-22 | — | — | US | disclosed |
| US-7176220-B2 | 4-oxoquinoline compound and use thereof as pharmaceutical agent | JAPAN TOBACCO INC. (JP) | 2007-02-13 | — | — | US | disclosed |
| US-20060252807-A1 | Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders | KALYPSYS, INC. | 2006-11-09 | — | — | US | disclosed |
| WO-2006116355-A1 | ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS | KALYPSYS, INC. (US) | 2006-11-02 | — | — | WO | disclosed |
| US-20060217413-A1 | 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. | 2006-09-28 | — | — | US | disclosed |
| US-20060217433-A1 | Sulfonamide derivatives as ppar modulators | ELI LILLY AND COMPANY (US) | 2006-09-28 | — | — | US | disclosed |
| US-20060121583-A1 | New method for synthesizing ceramide-type compounds | LASSALLE LAURENT | 2006-06-08 | — | — | US | disclosed |
| US-20060084665-A1 | Quinolizinone compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2006-04-20 | — | — | US | disclosed |
| EP-1644318-A1 | NEW METHOD FOR SYNTHESIZING CERAMIDE-TYPE COMPOUNDS | Société La Biochimie Appliquée - SO.LA.BI.A. (FR) | 2006-04-12 | — | — | EP | disclosed |
| EP-1597248-A2 | SULFONAMIDE DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-11-23 | — | — | EP | disclosed |
| CN-1692101-A | 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors | JAPAN TOBACCO INC (JP) | 2005-11-02 | — | — | CN | disclosed |
| US-20050239819-A1 | 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors | SHIONOGI & CO., LTD. (JP) | 2005-10-27 | — | — | US | disclosed |
| EP-1564210-A1 | 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS | JAPAN TOBACCO INC. (JP) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004108659-A1 | NEW METHOD FOR SYNTHESIZING CERAMIDE-TYPE COMPOUNDS | SOCIETE LA BIOCHIMIE APPLIQUEE SOLABIA (FR) | 2004-12-16 | — | — | WO | disclosed |
| WO-2004073606-A2 | SULFONAMIDE DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-09-02 | — | — | WO | disclosed |
| WO-2004073606-A2 | SULFONAMIDE DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-09-02 | — | — | WO | disclosed |