⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14275536 | 0.74 | — | — | |
| SCHEMBL19301349 | 0.69 | — | — | |
| SCHEMBL19301239 | 0.69 | — | — | |
| SCHEMBL19301250 | 0.69 | — | — | |
| SCHEMBL14781831 | 0.67 | — | — | |
| SCHEMBL14275698 | 0.65 | — | — | |
| SCHEMBL19301284 | 0.64 | — | — | |
| SCHEMBL19301365 | 0.61 | — | — | |
| SCHEMBL19301346 | 0.61 | — | — | |
| SCHEMBL19301377 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0146837-B1 | CYCLOHEXENONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS HERBICIDAL COMPOUNDS | BASF Aktiengesellschaft (DE) | 1988-03-23 | — | — | EP | disclosed |
| US-4659367-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1987-04-21 | — | — | US | disclosed |