⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30539472 | 0.67 | — | — | |
| SCHEMBL14086884 | 0.65 | — | — | |
| SCHEMBL5532225 | 0.63 | — | — | |
| SCHEMBL8710862 | 0.60 | — | — | |
| SCHEMBL27588791 | 0.59 | — | — | |
| SCHEMBL27971109 | 0.59 | — | — | |
| SCHEMBL6642646 | 0.57 | — | — | |
| SCHEMBL6844745 | 0.56 | — | — | |
| SCHEMBL7040608 | 0.53 | — | — | |
| SCHEMBL23174712 | 0.52 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5097068-A | For preparing herbicidal, substituted benzoyl cyclohexanediones | ICI AMERICAS, INC. (US) | 1992-03-17 | — | — | US | disclosed |
| US-4966998-A | FOR PREPARING HERBICIDES, TRISUBSTITUTED BENZOYL CYCLOHEXANEDIONES | ICI AMERICAS INC. (US) | 1990-10-30 | — | — | US | disclosed |
| US-4898973-A | Trisubstituted benzoic acid intermediates | ICI AMERICAS INC. (US) | 1990-02-06 | — | — | US | disclosed |
| EP-0195247-A1 | Trisubstituted benzoic acid intermediates | STAUFFER CHEMICAL COMPANY (US) | 1986-09-24 | — | — | EP | disclosed |