⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4218795 | 0.74 | — | — | |
| SCHEMBL4233229 | 0.68 | — | — | |
| SCHEMBL4218198 | 0.66 | — | — | |
| SCHEMBL13930443 | 0.66 | CTSS (0.30) | — | |
| SCHEMBL4233054 | 0.66 | KDM4E (0.31) | — | |
| SCHEMBL26288474 | 0.66 | CYP1A2 (0.33) | — | |
| SCHEMBL4226500 | 0.65 | — | — | |
| SCHEMBL22370903 | 0.64 | — | — | |
| SCHEMBL3155398 | 0.62 | — | — | |
| SCHEMBL22371469 | 0.59 | GAA (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-20090042726-A1 | Novel Herbicides | SYNGENTA LIMITED (GB) | 2009-02-12 | — | — | US | disclosed |