⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20491299 | 0.97 | — | — | |
| SCHEMBL734214 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL10437804 | 0.87 | PEPD (0.42) | — | |
| Hydrochloric Acid SCHEMBL10437803 | 0.87 | PEPD (0.42) | — | |
| SCHEMBL23624919 | 0.86 | CES2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL22343933 | 0.86 | PEPD (0.50) | — | |
| SCHEMBL11302539 | 0.86 | CES2 (0.50) | — | |
| SCHEMBL21163738 | 0.86 | CES2 (0.50) | — | |
| SCHEMBL1596608 | 0.86 | CES2 (0.50) | — | |
| SCHEMBL23571633 | 0.86 | CES2 (0.50) | — |
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 79 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1648874-B1 | PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC (CA) | 2011-10-05 | — | — | EP | claimed |
| EP-1846035-B1 | COMBINATION THERAPY | XENON PHARMACEUTICALS INC (CA) | 2011-09-21 | — | — | EP | claimed |
| US-20100056460-A1 | COMBINATION OF ORGANIC COMPOUNDS | ALI MOHAMMED A | 2010-03-04 | — | — | US | claimed |
| US-20090131447-A1 | COMBINATION THERAPY | XENON PHARMACEUTICALS INC. (CA) | 2009-05-21 | — | — | US | claimed |
| CN-101203244-A | Compositions of rennin inhibitor and insulin secernent or insulin sensitizer | NOVARTIS AG (CH) | 2008-06-18 | — | — | CN | claimed |
| CN-101163504-A | Combination therapy | XENON PHARMACEUTICALS INC (CA) | 2008-04-16 | — | — | CN | claimed |
| EP-1907004-A2 | COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER | Novartis AG (CH) | 2008-04-09 | — | — | EP | claimed |
| US-7335658-B2 | Pyridazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC. (CA) | 2008-02-26 | — | — | US | claimed |
| EP-1846035-A2 | COMBINATION THERAPY | XENON PHARMACEUTICALS INC. (CA) | 2007-10-24 | — | — | EP | claimed |
| JP-2007500717-A | — | — | 2007-01-18 | — | — | JP | claimed |
| WO-2007005763-A2 | COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER | NOVARTIS AG (CH) | 2007-01-11 | — | — | WO | claimed |
| WO-2006086445-A2 | COMBINATION THERAPY | XENON PHARMACEUTICALS INC. (CA) | 2006-08-17 | — | — | WO | claimed |
| EP-1648874-A2 | PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2006-04-26 | — | — | EP | claimed |
| EP-1254892-B1 | N-substituted-aminomethyl cyclopropyl ketone derivatives or salts thereof and production process therefor | DAICEL CHEM (JP) | 2006-02-08 | — | — | EP | claimed |
| US-20050065143-A1 | Pyridazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC. (CA) | 2005-03-24 | — | — | US | claimed |
| WO-2005011655-A2 | PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2005-02-10 | — | — | WO | claimed |
| US-6710210-B2 | REDUCED TO PREPARE 2-AMINO-1-CYCLOPROPYLETHANOL DERIVATIVES AND SALTS THEREOF | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-23 | — | — | US | claimed |
| EP-1254892-A2 | N-substituted-aminomethyl cyclopropyl ketone derivatives or salts thereof and production process therefor | Daicel Chemical Industries, Ltd. (JP) | 2002-11-06 | — | — | EP | claimed |
| US-20020156323-A1 | N-substituted-aminomethyl cyclopropyl ketone derivatives or salts thereof and production process therefor | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-24 | — | — | US | claimed |
| EP-4626423-A1 | CDK INHIBITORS AND METHODS AND USE THEREOF | Relay Therapeutics, Inc. (US) | 2025-10-08 | — | — | EP | disclosed |
| WO-2024119122-A1 | CDK INHIBITORS AND METHODS AND USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2024-06-06 | — | — | WO | disclosed |
| US-20240025922-A1 | TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS | MERCK HEALTHCARE KGAA (DE) | 2024-01-25 | — | — | US | disclosed |
| US-20230107941-A1 | HEPATITIS B CAPSID ASSEMBLY MODULATORS | VenatoRx Pharmaceuticals, Inc. | 2023-04-06 | — | — | US | disclosed |
| WO-2021119081-A1 | HEPATITIS B CAPSID ASSEMBLY MODULATORS | VenatoRx Pharmaceuticals, Inc. (US) | 2021-06-17 | — | — | WO | disclosed |
| US-20190359614-A1 | PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2019-11-28 | — | — | US | disclosed |
| US-10280167-B2 | Purine derivatives for the treatment of viral infections | JANSSEN SCIENCES IRELAND UC (IE) | 2019-05-07 | — | — | US | disclosed |
| CN-109438418-A | Apoptosis signal regulating kinase inhibitor | 吉利德科学公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-109265443-A | Heterocyclic compound and its application as ASK inhibitor | 南京圣和药业股份有限公司 | 2019-01-25 | — | — | CN | disclosed |
| CN-104080771-B | Apoptosis signal-regulating kinase inhibitors | 吉利德科学公司 | 2018-11-09 | — | — | CN | disclosed |
| US-10030019-B2 | Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors | FEDORA PHARMACEUTICALS INC. (CA) | 2018-07-24 | — | — | US | disclosed |
| US-20170283419-A1 | PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UC (IE) | 2017-10-05 | — | — | US | disclosed |
| US-20170283419-A1 | PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UC (IE) | 2017-10-05 | — | — | US | disclosed |
| US-20170240587-A1 | HETEROARYL CONTAINING BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2017-08-24 | — | — | US | disclosed |
| US-9556176-B2 | Purine derivatives for the treatment of viral infections | JANSSEN SCIENCES IRELAND UC (IE) | 2017-01-31 | — | — | US | disclosed |
| US-9556176-B2 | Purine derivatives for the treatment of viral infections | JANSSEN SCIENCES IRELAND UC (IE) | 2017-01-31 | — | — | US | disclosed |
| US-20160297817-A1 | BICYCLIC COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS AND BETA-LACTAMASE INHIBITORS | FEDORA PHARMACEUTICALS INC. (CA) | 2016-10-13 | — | — | US | disclosed |
| US-9416129-B2 | Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use | MERCK SHARP & DOHME CORP. (US) | 2016-08-16 | — | — | US | disclosed |
| US-9393239-B2 | Bicyclic compounds and their use as antibacterial agents and betalactamase inhibitors | FEDORA PHARMACEUTICALS INC. (CA) | 2016-07-19 | — | — | US | disclosed |
| US-9321756-B2 | Azole compounds as PIM inhibitors | AMGEN INC. (US) | 2016-04-26 | — | — | US | disclosed |
| US-20150284379-A1 | TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2015-10-08 | — | — | US | disclosed |
| US-20140323441-A1 | Purine derivatives for the treatment of viral infections | JANSSEN SCIENCES IRELAND UC (IE) | 2014-10-30 | — | — | US | disclosed |
| US-20140323441-A1 | Purine derivatives for the treatment of viral infections | JANSSEN SCIENCES IRELAND UC (IE) | 2014-10-30 | — | — | US | disclosed |
| US-8796257-B2 | Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors | NAEJA PHARMACEUTICAL INC. (CA) | 2014-08-05 | — | — | US | disclosed |
| US-8772288-B2 | Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors | ALMIRALL, S.A. (ES) | 2014-07-08 | — | — | US | disclosed |
| US-20140187553-A1 | Azole Compounds as PIM Inhibitors | AMGEM INC. (US) | 2014-07-03 | — | — | US | disclosed |
| WO-2013068438-A1 | PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN R&D IRELAND (IE) | 2013-05-16 | — | — | WO | disclosed |
| CN-102600162-A | Pyridazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC | 2012-07-25 | — | — | CN | disclosed |
| US-20110245223-A1 | HETEROCYCLIC COMPOUNDS | JAPAN TOBACCO INC. (JP) | 2011-10-06 | — | — | US | disclosed |
| US-20110053936-A1 | SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS | ALMIRALL, S.A. (ES) | 2011-03-03 | — | — | US | disclosed |
| CN-101980709-A | Pyridazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC | 2011-02-23 | — | — | CN | disclosed |
| US-7759348-B2 | Pyridazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC. (CA) | 2010-07-20 | — | — | US | disclosed |
| US-7754711-B2 | Antidiabetic agents; disease of glucose tolerance; insulin resistance; obesity; dyslipidemia; metabolic disorders; liver disorders | XENON PHARMACEUTICALS INC. (CA) | 2010-07-13 | — | — | US | disclosed |
| CN-101669952-A | Pyridazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC | 2010-03-17 | — | — | CN | disclosed |
| US-20100056460-A1 | COMBINATION OF ORGANIC COMPOUNDS | ALI MOHAMMED A | 2010-03-04 | — | — | US | disclosed |
| US-20090131447-A1 | COMBINATION THERAPY | XENON PHARMACEUTICALS INC. (CA) | 2009-05-21 | — | — | US | disclosed |
| EP-1636182-A4 | PRODRUGS OF MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2008-09-03 | — | — | EP | disclosed |
| CN-101203244-A | Compositions of rennin inhibitor and insulin secernent or insulin sensitizer | NOVARTIS AG (CH) | 2008-06-18 | — | — | CN | disclosed |
| CN-101163504-A | Combination therapy | XENON PHARMACEUTICALS INC (CA) | 2008-04-16 | — | — | CN | disclosed |
| EP-1907004-A2 | COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER | Novartis AG (CH) | 2008-04-09 | — | — | EP | disclosed |
| EP-1889842-A1 | HETEROCYCLIC COMPOUND | Japan Tobacco, Inc. (JP) | 2008-02-20 | — | — | EP | disclosed |
| EP-1846035-A2 | COMBINATION THERAPY | XENON PHARMACEUTICALS INC. (CA) | 2007-10-24 | — | — | EP | disclosed |
| US-20070087363-A1 | Therapeutic methods, compounds and compositions | MYRIAD GENETICS, INCORPORATED (US) | 2007-04-19 | — | — | US | disclosed |
| US-20070072908-A1 | Heterocyclic compounds | JAPAN TOBACCO INC. (JP) | 2007-03-29 | — | — | US | disclosed |
| WO-2007005763-A2 | COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER | NOVARTIS AG (CH) | 2007-01-11 | — | — | WO | disclosed |
| WO-2006086445-A2 | COMBINATION THERAPY | XENON PHARMACEUTICALS INC. (CA) | 2006-08-17 | — | — | WO | disclosed |
| EP-1636182-A2 | PRODRUGS OF MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1254892-B1 | N-substituted-aminomethyl cyclopropyl ketone derivatives or salts thereof and production process therefor | DAICEL CHEM (JP) | 2006-02-08 | — | — | EP | disclosed |
| EP-1515724-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-1515724-A1 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2005-03-23 | — | — | EP | disclosed |
| WO-2004111193-A2 | PRODRUGS OF MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2004-12-23 | — | — | WO | disclosed |
| US-6710210-B2 | REDUCED TO PREPARE 2-AMINO-1-CYCLOPROPYLETHANOL DERIVATIVES AND SALTS THEREOF | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-23 | — | — | US | disclosed |
| US-6710210-B2 | REDUCED TO PREPARE 2-AMINO-1-CYCLOPROPYLETHANOL DERIVATIVES AND SALTS THEREOF | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-23 | — | — | US | disclosed |
| WO-2003105855-A1 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-12-24 | — | — | WO | disclosed |
| EP-1254892-A3 | N-substituted-aminomethyl cyclopropyl ketone derivatives or salts thereof and production process therefor | Daicel Chemical Industries, Ltd. (JP) | 2002-12-11 | — | — | EP | disclosed |
| JP-2002322136-A | N-SUBSTITUTED AMINOMETHYL CYCLOPROPYL KETONE DERIVATIVE OR ITS SALT AND PRODUCTION METHOD USED FOR THEM | DAICEL CHEM IND LTD | 2002-11-08 | — | — | JP | disclosed |
| EP-1254892-A2 | N-substituted-aminomethyl cyclopropyl ketone derivatives or salts thereof and production process therefor | Daicel Chemical Industries, Ltd. (JP) | 2002-11-06 | — | — | EP | disclosed |
| EP-1254892-A2 | N-substituted-aminomethyl cyclopropyl ketone derivatives or salts thereof and production process therefor | Daicel Chemical Industries, Ltd. (JP) | 2002-11-06 | — | — | EP | disclosed |
| US-20020156323-A1 | N-substituted-aminomethyl cyclopropyl ketone derivatives or salts thereof and production process therefor | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-24 | — | — | US | disclosed |
| US-20020156323-A1 | N-substituted-aminomethyl cyclopropyl ketone derivatives or salts thereof and production process therefor | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-24 | — | — | US | disclosed |
| US-20020156323-A1 | N-substituted-aminomethyl cyclopropyl ketone derivatives or salts thereof and production process therefor | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-10-24 | — | — | US | disclosed |