⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1678748 | 0.83 | CA12 (0.35) | — | |
| SCHEMBL2973923 | 0.77 | — | — | |
| SCHEMBL2966564 | 0.73 | PLA2G1B (0.30) | — | |
| SCHEMBL42460 | 0.71 | — | — | |
| SCHEMBL23451866 | 0.68 | — | — | |
| SCHEMBL27485826 | 0.68 | — | — | |
| SCHEMBL806005 | 0.67 | — | — | |
| SCHEMBL35704 | 0.67 | CYP1A2 (0.46) | — | |
| SCHEMBL2802966 | 0.67 | — | — | |
| SCHEMBL20228951 | 0.65 | — | — |
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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1513835-B1 | PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI AVENTIS (FR) | 2006-08-16 | — | — | EP | claimed |
| US-9045465-B1 | 3-heterocyclyl-substituted benzoyl derivatives | BASF SE (DE) | 2015-06-02 | — | — | US | disclosed |
| US-7767624-B2 | 3-Heterocyclyl substituted benzoic acid derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2010-08-03 | — | — | US | disclosed |
| US-7608564-B2 | 3-heterocyclyl-substituted benzoyl derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2009-10-27 | — | — | US | disclosed |
| US-20080039327-A1 | Herbicide; in crops such as wheat, rice, maize, soybeans and cotton they act against broad-leaved weeds and grass weeds without damaging the crop plants; compounds are based on 3-(5,5-disubstituted 2-isoxazolin-3-yl)benzoic acid, esters, thioesters and pyrazolyl ketones thereof | DEYN WOLFGANG V | 2008-02-14 | — | — | US | disclosed |
| US-7151075-B2 | 3-(4,5-Dihydroisoxazole-5-yl)benzoylpyrazole | BASF AKTIENGESELLSCHAFT (DE) | 2006-12-19 | — | — | US | disclosed |
| EP-1513835-B1 | PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI AVENTIS (FR) | 2006-08-16 | — | — | EP | 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 |
| EP-0958291-A1 | 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-24 | — | — | EP | 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-1998031681-A1 | 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-23 | — | — | 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 |