⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18433370 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL24872825 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL4274882 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL3534552 | 0.69 | — | — | |
| SCHEMBL1678602 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL4268583 | 0.69 | — | — | |
| SCHEMBL2976151 | 0.67 | — | — | |
| SCHEMBL8310087 | 0.67 | — | — | |
| SCHEMBL13851917 | 0.67 | — | — | |
| SCHEMBL20768162 | 0.67 | GRIN1 (0.32) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9045465-B1 | 3-heterocyclyl-substituted benzoyl derivatives | BASF SE (DE) | 2015-06-02 | — | — | 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-7232792-B2 | 3-heterocyclyl-substituted benzoyl derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2007-06-19 | — | — | US | disclosed |
| US-7151075-B2 | 3-(4,5-Dihydroisoxazole-5-yl)benzoylpyrazole | BASF AKTIENGESELLSCHAFT (DE) | 2006-12-19 | — | — | US | disclosed |
| EP-1284969-B1 | 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES | BASF AG (DE) | 2004-08-18 | — | — | EP | disclosed |
| EP-1240163-B1 | 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLPYRAZOLE | BASF AG (DE) | 2004-03-31 | — | — | EP | disclosed |
| US-6645919-B1 | Nonphytotoxic to crops | BASF AKTIENGESELLSCHAFT (DE) | 2003-11-11 | — | — | US | disclosed |
| US-20030199699-A1 | 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-23 | — | — | US | disclosed |
| US-20030100590-A1 | 3-(4,5-dihydroisoxazol-5-yl)benzoylpyrazole | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-29 | — | — | US | disclosed |
| US-6165944-A | 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | disclosed |
| EP-0998472-A1 | SUBSTITUTED 2-(BENZOARYL)PYRIDINES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-10 | — | — | EP | disclosed |
| EP-0958292-A1 | 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-24 | — | — | EP | disclosed |
| EP-0958291-A1 | 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-24 | — | — | EP | 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-1998031682-A1 | 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-23 | — | — | WO | disclosed |
| WO-1998031681-A1 | 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-23 | — | — | WO | disclosed |
| WO-1998005649-A1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-12 | — | — | WO | disclosed |