⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL271317 | 0.69 | — | — | |
| SCHEMBL25419981 | 0.69 | — | — | |
| SCHEMBL270046 | 0.69 | — | — | |
| SCHEMBL29678326 | 0.67 | — | — | |
| SCHEMBL28059531 | 0.67 | PKM (0.30) | — | |
| SCHEMBL12806345 | 0.66 | ADH1B (0.35) | — | |
| SCHEMBL19494941 | 0.65 | PKM (0.34) | — | |
| SCHEMBL277346 | 0.65 | PKM (0.34) | — | |
| SCHEMBL3930160 | 0.65 | — | — | |
| SCHEMBL4613813 | 0.62 | ADH1B (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103443189-B | Rubber composition and pneumatic tire | 住友橡胶工业株式会社 | 2016-09-07 | — | — | CN | disclosed |