⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1364036 | 0.89 | TAS1R3 (0.34) | — | |
| SCHEMBL2964896 | 0.85 | ALDH1A1 (0.38) | — | |
| SCHEMBL1678821 | 0.83 | — | — | |
| SCHEMBL22157396 | 0.80 | TAS1R3 (0.31) | — | |
| SCHEMBL22157397 | 0.80 | TAS1R3 (0.31) | — | |
| SCHEMBL4200832 | 0.77 | — | — | |
| SCHEMBL22157511 | 0.77 | — | — | |
| SCHEMBL3371283 | 0.77 | TAS1R3 (0.35) | — | |
| SCHEMBL270981 | 0.77 | — | — | |
| SCHEMBL5265109 | 0.75 | TAS1R3 (0.38) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100324091-A1 | Pyrazolone Derivative | KOWA COMPANY, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |
| EP-2172458-A1 | PYRAZOLONE DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |
| EP-1844052-A1 | THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION | Pharmacia & Upjohn Company LLC (US) | 2007-10-17 | — | — | EP | disclosed |
| WO-2006079916-A1 | THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION | PHARMACIA & UPJOHN COMPANY LLC (US) | 2006-08-03 | — | — | WO | disclosed |
| US-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| EP-0870765-B1 | AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS | ZERIA PHARM CO LTD (JP) | 2003-11-19 | — | — | EP | disclosed |
| US-6639070-B1 | 4-substituted 1,3,4-oxadiazines; herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-28 | — | — | US | disclosed |
| EP-1187819-B1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AG (DE) | 2003-07-23 | — | — | EP | disclosed |
| US-6528455-B1 | Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | disclosed |
| US-5981557-A | HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1999-11-09 | — | — | US | disclosed |
| EP-0870765-A1 | AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS | ZERIA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-14 | — | — | EP | disclosed |