⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12926314 | 0.92 | AKR1C3 (0.31) | — | |
| SCHEMBL18435772 | 0.89 | POLB (0.32) | — | |
| SCHEMBL3020079 | 0.88 | — | — | |
| SCHEMBL2466757 | 0.88 | — | — | |
| SCHEMBL27345682 | 0.87 | AKR1C3 (0.30) | — | |
| SCHEMBL9735551 | 0.87 | SHBG (0.33) | — | |
| SCHEMBL16754200 | 0.87 | GBA1 (0.35) | — | |
| SCHEMBL14668114 | 0.87 | DAO (0.40) | — | |
| SCHEMBL1145740 | 0.86 | CYP1A2 (0.48) | — | |
| SCHEMBL27976251 | 0.86 | CYP1A2 (0.48) | — |
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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110218188-A1 | SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2011-09-08 | — | — | US | claimed |
| EP-2356107-A1 | SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2011-08-17 | — | — | EP | claimed |
| WO-2010055077-A1 | SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE SA (FR) | 2010-05-20 | — | — | WO | claimed |
| US-20060241115-A1 | Compounds and methods of use | AMGEN INC. | 2006-10-26 | — | — | US | claimed |
| EP-1090005-B1 | PYRAZOLO 1,5-a]TRIAZINE CORTICOTROPIN RELEASING FACTOR ANTAGONISTS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2003-08-20 | — | — | EP | claimed |
| US-6509338-B1 | Psychiatric disorders and neurological diseases including affective disorder, anxiety, depression, headache, irritable bowel syndrome, post-traumatic stress disorder, supranuclear palsy, immune suppression, Alzheimer's disease, | BRISTOL-MYERS SQUIBB COMPANY | 2003-01-21 | — | — | US | claimed |
| EP-0415196-B1 | SUBSTITUTED 4,5-DIAMINO-1,2,4-TRIAZOL-3-(THI)ONES | BAYER AG (DE) | 1993-03-24 | — | — | EP | claimed |
| US-20230192667-A1 | BETA-LACTAM DERIVATIVES FOR THE TREATMENT OF DISEASES | INSILICO MEDICINE IP LIMITED (HK) | 2023-06-22 | — | — | US | disclosed |
| EP-3310782-B1 | IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS | MERCK SHARP & DOHME (US) | 2021-12-01 | — | — | EP | disclosed |
| WO-2020146682-A1 | CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-07-16 | — | — | WO | disclosed |
| US-9611268-B2 | Modulators of toll-like receptor 7 | GILEAD SCIENCES, INC. (US) | 2017-04-04 | — | — | US | disclosed |
| US-20170001990-A1 | PIPERIDINE-DIONE DERIVATIVES | GENENTECH, INC. (US) | 2017-01-05 | — | — | US | disclosed |
| US-20160362433-A1 | ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2016-12-15 | — | — | US | disclosed |
| US-20050026937-A1 | 3,7-dihydro-purine-2,6-dione derivatives as CRF receptor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2005-02-03 | — | — | US | disclosed |
| EP-0945445-B1 | 1,5-BENZODIAZEPINE DERIVATIVES | ZERIA PHARM CO LTD (JP) | 2003-09-03 | — | — | EP | disclosed |
| EP-1090005-B1 | PYRAZOLO 1,5-a]TRIAZINE CORTICOTROPIN RELEASING FACTOR ANTAGONISTS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2003-08-20 | — | — | EP | disclosed |
| US-6509338-B1 | Psychiatric disorders and neurological diseases including affective disorder, anxiety, depression, headache, irritable bowel syndrome, post-traumatic stress disorder, supranuclear palsy, immune suppression, Alzheimer's disease, | BRISTOL-MYERS SQUIBB COMPANY | 2003-01-21 | — | — | US | disclosed |
| US-6239131-B1 | WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-29 | — | — | US | disclosed |
| US-6110903-A | INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE AT THE AMP SITE; ADMINISTERING TO TREAT DIABETES AND INHIBIT GLUCONEOGENESIS; 5-FLUORO-7-BROMO-1-ISOBUTYL-2-(2-PHOSPHONO-5-FURANYL) BENZIMIDAZOLE, FOR EXAMPLE | SANKYO COMPANY LTD. (JP) | 2000-08-29 | — | — | US | disclosed |
| EP-0945445-A1 | 1,5-BENZODIAZEPINE DERIVATIVES | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |