⚠ 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 SCHEMBL21197516 | 0.97 | MAPK1 (0.50) | — | |
| SCHEMBL18850980 | 0.86 | CYP2C9 (0.46) | — | |
| SCHEMBL427283 | 0.85 | KDM4E (0.61) | — | |
| SCHEMBL13407441 | 0.84 | KDM4E (0.52) | — | |
| SCHEMBL885320 | 0.83 | KDM4E (0.65) | — | |
| SCHEMBL15473380 | 0.82 | — | — | |
| SCHEMBL12282948 | 0.81 | KDM4E (0.70) | — | |
| SCHEMBL16303439 | 0.81 | KDM4E (0.70) | — | |
| SCHEMBL28958163 | 0.81 | KDM4E (0.70) | — | |
| SCHEMBL8009723 | 0.81 | CA1 (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 780 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159564-A1 | 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers | iTeos Belgium SA (BE) | 2023-05-25 | — | — | US | claimed |
| CN-104507929-B | Heterocyclyl pyrimidine analogues as TYK2 inhibitors | 赛尔佐姆有限公司 | 2018-02-16 | — | — | CN | claimed |
| EP-3227263-A1 | CXCR7 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd (CH) | 2017-10-11 | — | — | EP | claimed |
| WO-2016124553-A1 | 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY | KANCERA AB (SE) | 2016-08-11 | — | — | WO | claimed |
| WO-2016087370-A1 | CXCR7 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-06-09 | — | — | WO | claimed |
| EP-2066662-B1 | SERINE HYDROLASE INHIBITORS | KYORIN SEIYAKU KK (JP) | 2012-12-05 | — | — | EP | claimed |
| US-20120270853-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-10-25 | — | — | US | claimed |
| US-8163749-B2 | Six-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-24 | — | — | US | claimed |
| US-8148537-B2 | Substituted acetophenones useful as PDE4 inhibitors | LEO PHARMA A/S (DK) | 2012-04-03 | — | — | US | claimed |
| JP-4739625-B2 | — | — | 2011-08-03 | — | — | JP | claimed |
| US-6638965-B2 | Antitumor agents | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-10-28 | — | — | US | claimed |
| EP-1341760-A1 | SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2003-09-10 | — | — | EP | claimed |
| WO-2003066630-A2 | QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS | AMGEN INC. (US) | 2003-08-14 | — | — | WO | claimed |
| US-20030069299-A1 | Substituted indolinones, preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-04-10 | — | — | US | claimed |
| CN-1382136-A | N-heterocyclic derivatives as NOS inhibitors | BERLEX LAB (US) | 2002-11-27 | — | — | CN | claimed |
| US-6458779-B1 | TREATMENT OF CONDITIONS ASSOCIATED WITH EXCESS PRODUCTION OF SOLUBLE CD23 (S-CD23) SUCH AS AUTOIMMUNE DISEASE AND ALLERGY. THE COMPOUNDS OF THE INVENTION ARE ALSO INHIBITORS OF THE RELEASE OF TUMOUR NECROSIS FACTOR (TNF). | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-10-01 | — | — | US | claimed |
| WO-2002036564-A1 | SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-05-10 | — | — | WO | claimed |
| EP-0394989-B1 | Peptide compounds, process for preparation thereof and pharmaceutical composition comprising the same | FUJISAWA PHARMACEUTICAL CO (JP) | 1994-12-21 | — | — | EP | claimed |
| US-5164372-A | Treatment of respiratory disorders, inflammation, dermatitis | FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) | 1992-11-17 | — | — | US | claimed |
| EP-0394989-A2 | Peptide compounds, process for preparation thereof and pharmaceutical composition comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1990-10-31 | — | — | EP | claimed |