⚠ 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 | |
|---|---|---|---|---|
| Quizalofop SCHEMBL7580183 | 0.88 | TP53 (0.36) | — | |
| Fluazifop SCHEMBL7588550 | 0.87 | SCN9A (0.32) | — | |
| Fenoxaprop SCHEMBL7579346 | 0.86 | — | — | |
| SCHEMBL7583281 | 0.86 | — | — | |
| Diclofop-Methyl SCHEMBL7587279 | 0.84 | — | — | |
| SCHEMBL5420505 | 0.81 | CHRM1 (0.31) | — | |
| Propaquizafop SCHEMBL7582437 | 0.80 | TP53 (0.34) | — | |
| Clopyralid SCHEMBL7580437 | 0.80 | PTAFR (0.30) | — | |
| Flumioxazin SCHEMBL7589028 | 0.79 | LTA4H (0.33) | — | |
| Diclofop-Methyl SCHEMBL7584826 | 0.78 | KMO (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020004457-A1 | Herbicidal composition | SYNGENTA PARTICIPATIONS AG (CH) | 2002-01-10 | — | — | US | disclosed |