⚠ 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 SCHEMBL7587406 | 0.84 | MAPT (0.34) | — | |
| Flumioxazin SCHEMBL7578907 | 0.84 | KDM4E (0.38) | — | |
| Oxasulfuron SCHEMBL7589887 | 0.83 | — | — | |
| Chlorimuron Ethyl SCHEMBL7583199 | 0.83 | PPOX (0.36) | — | |
| Rimsulfuron SCHEMBL7582016 | 0.83 | GAA (0.35) | — | |
| Rimsulfuron SCHEMBL28307070 | 0.83 | GAA (0.35) | — | |
| Primisulfuron SCHEMBL7587718 | 0.83 | MAPT (0.30) | — | |
| Flumioxazin SCHEMBL7576740 | 0.82 | GAA (0.34) | — | |
| Chlorimuron Ethyl SCHEMBL7580400 | 0.82 | — | — | |
| Flumioxazin SCHEMBL7581979 | 0.82 | MAPT (0.41) | — |
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 |