⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4266705 | 0.84 | PLA2G1B (0.30) | — | |
| SCHEMBL4276767 | 0.78 | CA12 (0.35) | — | |
| SCHEMBL4268069 | 0.77 | — | — | |
| SCHEMBL910940 | 0.75 | — | — | |
| SCHEMBL1686727 | 0.71 | CYP1A2 (0.48) | — | |
| SCHEMBL4618195 | 0.71 | CYP1A2 (0.48) | — | |
| SCHEMBL4267494 | 0.69 | — | — | |
| SCHEMBL14247940 | 0.69 | CYP1A2 (0.46) | — | |
| SCHEMBL29175138 | 0.69 | CYP1A2 (0.46) | — | |
| SCHEMBL2973925 | 0.69 | — | — |
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 5 patents. 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-20020025910-A1 | 3-heterocycly1 - substituted benzoyl derivatives | DEYN WOLFGANG VON (DE) | 2002-02-28 | — | — | US | disclosed |