⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2268144 | 0.78 | — | — | |
| SCHEMBL2270073 | 0.67 | — | — | |
| SCHEMBL15309823 | 0.65 | — | — | |
| SCHEMBL521830 | 0.64 | ADH1B (0.33) | — | |
| SCHEMBL2270368 | 0.64 | TSHR (0.36) | — | |
| SCHEMBL25171564 | 0.62 | ADH1B (0.35) | — | |
| SCHEMBL11353647 | 0.62 | ADH1B (0.37) | — | |
| SCHEMBL29139968 | 0.61 | ADH1B (0.32) | — | |
| SCHEMBL15309954 | 0.61 | — | — | |
| SCHEMBL3469806 | 0.61 | — | — |
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 |