⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1608778 | 0.78 | — | — | |
| SCHEMBL8847376 | 0.77 | — | — | |
| SCHEMBL541997 | 0.75 | — | — | |
| SCHEMBL31375740 | 0.73 | — | — | |
| SCHEMBL31375744 | 0.73 | — | — | |
| SCHEMBL28010220 | 0.73 | — | — | |
| SCHEMBL8345761 | 0.73 | — | — | |
| SCHEMBL31692119 | 0.73 | — | — | |
| SCHEMBL1479692 | 0.72 | — | — | |
| Water SCHEMBL27851744 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6407268-B1 | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-18 | — | — | US | disclosed |
| US-6140272-A | HERBICIDES; PREPARING BY ACYLATING A 1,3-SUBSTITUTED-5-HYDROXY-PYRAZOLE WITH AN ACTIVATED BENZOIC ACID DERIVATIVE AND REARRANGING THE ACYLATION PRODUCT, AND OPTIONALLY FURTHER REACTING | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-31 | — | — | US | disclosed |
| US-6140273-A | HERBICIDES; MADE BY REACTING A CYCLOHEXANE-1,3-DIONE WITH AN ACTIVATED BENZOIC ACID OR BENZOIC ACID COMPOUND, TO GIVE AN ACYLATION PRODUCT, AND SUBSEQUENT REARRANGEMENT | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-31 | — | — | US | disclosed |