⚠ 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 | |
|---|---|---|---|---|
| Mesotrione SCHEMBL7578487 | 0.94 | HPD (0.34) | — | |
| Sulcotrione SCHEMBL7585059 | 0.86 | MAPT (0.32) | — | |
| Sulcotrione SCHEMBL7590303 | 0.84 | MAPT (0.30) | — | |
| Mesotrione SCHEMBL7580521 | 0.82 | — | — | |
| Sulcotrione SCHEMBL7584147 | 0.81 | — | — | |
| Mesotrione SCHEMBL7585473 | 0.80 | HPD (0.35) | — | |
| Sulcotrione SCHEMBL19464132 | 0.79 | GRM4 (0.45) | — | |
| Glufosinate SCHEMBL7590308 | 0.79 | — | — | |
| Mesotrione SCHEMBL7578389 | 0.78 | HPD (0.34) | — | |
| Isoxaflutole SCHEMBL7586239 | 0.78 | — | — |
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 |