⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6725271 | 0.86 | — | — | |
| SCHEMBL5932551 | 0.85 | TSHR (0.41) | — | |
| SCHEMBL23868460 | 0.81 | CYP2C19 (0.50) | — | |
| SCHEMBL3825697 | 0.81 | CYP2C19 (0.50) | — | |
| SCHEMBL22511778 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL20906860 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL23192416 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL25093129 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL25561364 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL5933282 | 0.78 | TSHR (0.46) | — |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7767624-B2 | 3-Heterocyclyl substituted benzoic acid derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2010-08-03 | — | — | US | disclosed |
| EP-1527052-B1 | 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES | BASF AG (DE) | 2006-05-31 | — | — | EP | disclosed |
| US-20050239655-A1 | 3-heterocyclyl substituted benzoic acid derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2005-10-27 | — | — | US | disclosed |
| EP-1527052-A1 | 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2005-05-04 | — | — | EP | disclosed |
| US-20050085516-A1 | 2-W-diaminocarboxylic acid compounds | BASF AKTIENGESELLSCHAFT (DE) | 2005-04-21 | — | — | US | disclosed |
| EP-1451148-A2 | 2,W-DIAMINOCARBOXYLIC ACID COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-01 | — | — | EP | disclosed |
| EP-0944623-B1 | SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES | BASF AG (DE) | 2004-09-01 | — | — | EP | disclosed |
| WO-2004009561-A1 | 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2004-01-29 | — | — | WO | disclosed |
| US-20030162662-A1 | 2-Phenyl-2h-pyridazine-3-ones | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-28 | — | — | US | disclosed |
| US-20030130123-A1 | 2-Phenyl-2h-pyridazine-3-ones | BASF AKTIENGESELLSCHAFT (DE) | 2003-07-10 | — | — | US | disclosed |
| EP-0998472-A1 | SUBSTITUTED 2-(BENZOARYL)PYRIDINES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-10 | — | — | EP | disclosed |
| CN-1244865-A | Substituted pyrazole-3-yl benzazoles | BASF AK (DE) | 2000-02-16 | — | — | CN | disclosed |
| WO-1999055702-A1 | SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-04 | — | — | WO | disclosed |
| EP-0944623-A2 | SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1999031091-A1 | HERBICIDES 3-(BENZAZOL-4-YL)PYRIMIDINE-DIONE-DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-06-24 | — | — | WO | disclosed |
| EP-0915853-A1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-05-19 | — | — | EP | disclosed |
| WO-1999006394-A1 | SUBSTITUTED 2-(BENZOARYL)PYRIDINES | BASF AKTIENGESELLSCHAFT (DE) | 1999-02-11 | — | — | WO | disclosed |
| WO-1998038169-A1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-03 | — | — | WO | disclosed |
| WO-1998027090-A2 | SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-25 | — | — | WO | disclosed |
| WO-1998005649-A1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-12 | — | — | WO | disclosed |