⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5540975 | 1.00 | — | — | |
| SCHEMBL5537112 | 1.00 | — | — | |
| SCHEMBL5233559 | 1.00 | — | — | |
| SCHEMBL4029221 | 0.97 | — | — | |
| SCHEMBL7636153 | 0.89 | — | — | |
| SCHEMBL11461451 | 0.81 | — | — | |
| SCHEMBL1530 | 0.77 | — | — | |
| SCHEMBL10696899 | 0.75 | — | — | |
| SCHEMBL153995 | 0.74 | — | — | |
| SCHEMBL5541009 | 0.74 | ALDH1A1 (0.33) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070197393-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES | WITSCHEL MATTHIAS | 2007-08-23 | — | — | US | disclosed |
| EP-1163240-B1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE | BASF AG (DE) | 2007-03-14 | — | — | EP | disclosed |
| US-7115545-B1 | Tricyclic benzoylpyrazole derivatives used as a herbicide | BASF AKTIENGESELLSCHAFT (DE) | 2006-10-03 | — | — | US | disclosed |
| EP-1181295-B1 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AG (DE) | 2004-02-18 | — | — | 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-6583089-B1 | Pre- and postemergence herbicides such as (5,5-dimethyl-1,3-dioxocyclohex-2yl)(6-methoxy-3a,4-dihydro-3H -chromeno(4,3c) isoxazolin-9-yl)methanone, formed by acylation and rearranging in the presence of catalysts | BASF AKTIENGESELLSCHAFT (DE) | 2003-06-24 | — | — | US | disclosed |
| CN-1358186-A | Tricyclic benzoylcylohexanedione derivatives | BASF AG (DE) | 2002-07-10 | — | — | CN | disclosed |
| US-6337305-B1 | HERBICIDES FOR AGRICULTURE | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-08 | — | — | US | disclosed |
| EP-1163240-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000055158-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-21 | — | — | WO | disclosed |
| EP-0968188-A1 | SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998042671-A1 | SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-01 | — | — | WO | disclosed |