⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2045974 | 0.74 | TUBB4A (0.30) | — | |
| SCHEMBL4504615 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL746830 | 0.58 | CYP1A1 (0.36) | — | |
| SCHEMBL2046345 | 0.57 | — | — | |
| SCHEMBL2041123 | 0.54 | — | — | |
| SCHEMBL2041649 | 0.54 | — | — | |
| SCHEMBL2593564 | 0.54 | — | — | |
| SCHEMBL791069 | 0.54 | — | — | |
| SCHEMBL12049663 | 0.54 | — | — | |
| SCHEMBL2044054 | 0.54 | — | — |
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-20120291159-A1 | Azoline Compounds for Combating Invertebrate Pests | BASF SE (DE) | 2012-11-15 | — | — | US | disclosed |
| WO-2011073444-A2 | AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |
| EP-0958292-B1 | 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BASF AG (DE) | 2007-01-03 | — | — | EP | disclosed |
| US-6165944-A | 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | disclosed |
| US-6004903-A | 2-Anylocyclohexanediones having improved herbicidal properties | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |