⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4785094 | 0.66 | — | — | |
| SCHEMBL1412665 | 0.61 | — | — | |
| SCHEMBL1412392 | 0.59 | — | — | |
| SCHEMBL1412625 | 0.58 | — | — | |
| SCHEMBL26485261 | 0.51 | — | — | |
| SCHEMBL17731982 | 0.51 | — | — | |
| SCHEMBL31514334 | 0.50 | — | — | |
| SCHEMBL12293883 | 0.49 | — | — | |
| SCHEMBL24112167 | 0.49 | PTGS1 (0.40) | — | |
| SCHEMBL22911700 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008074991-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2008-06-26 | — | — | WO | disclosed |