⚠ 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 | |
|---|---|---|---|---|
| Flumioxazin SCHEMBL7581418 | 0.89 | KMO (0.34) | — | |
| Flumioxazin SCHEMBL7579443 | 0.83 | TDP1 (0.51) | — | |
| Flumioxazin SCHEMBL7579265 | 0.82 | TSHR (0.43) | — | |
| Flumioxazin SCHEMBL7587028 | 0.81 | — | — | |
| Flumioxazin SCHEMBL7579220 | 0.81 | P2RX3 (0.33) | — | |
| Flumioxazin SCHEMBL7589028 | 0.81 | LTA4H (0.33) | — | |
| Flumioxazin SCHEMBL7588749 | 0.80 | TP53 (0.41) | — | |
| Diclofop-Methyl SCHEMBL7587279 | 0.79 | — | — | |
| Propaquizafop SCHEMBL7583093 | 0.78 | TP53 (0.38) | — | |
| Flumioxazin SCHEMBL19641848 | 0.76 | GRM1 (0.39) | — |
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 |