⚠ 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 SCHEMBL7589028 | 0.82 | LTA4H (0.33) | — | |
| Flumioxazin SCHEMBL7579457 | 0.81 | LIPE (0.36) | — | |
| Flumioxazin SCHEMBL7579546 | 0.81 | — | — | |
| Flumioxazin SCHEMBL7579265 | 0.81 | TSHR (0.43) | — | |
| Flumioxazin SCHEMBL7579220 | 0.80 | P2RX3 (0.33) | — | |
| Flumipropyn SCHEMBL7586910 | 0.80 | PPOX (0.37) | — | |
| Flumioxazin SCHEMBL7588749 | 0.79 | TP53 (0.41) | — | |
| SCHEMBL7583281 | 0.79 | — | — | |
| Flumioxazin SCHEMBL7580601 | 0.76 | GRM7 (0.35) | — | |
| Flumioxazin SCHEMBL29539500 | 0.76 | GRM1 (0.37) | — |
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 |