⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28359144 | 0.84 | HCAR2 (0.35) | — | |
| SCHEMBL9219787 | 0.81 | — | — | |
| SCHEMBL4650693 | 0.77 | KDM4E (0.52) | — | |
| SCHEMBL17709538 | 0.76 | — | — | |
| SCHEMBL4879037 | 0.76 | L3MBTL1 (0.33) | — | |
| SCHEMBL4625124 | 0.74 | HSD17B10 (0.35) | — | |
| SCHEMBL14822491 | 0.74 | KDM4E (0.45) | — | |
| SCHEMBL22637869 | 0.74 | PDE4D (0.38) | — | |
| SCHEMBL28240648 | 0.74 | HCAR2 (0.30) | — | |
| SCHEMBL29129807 | 0.71 | GLRA3 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1965644-A1 | NOVEL HERBICIDES | Syngenta Limited (GB) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071900-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2007-06-28 | — | — | WO | disclosed |