⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27779583 | 0.73 | — | — | |
| SCHEMBL4320415 | 0.70 | — | — | |
| SCHEMBL2267947 | 0.69 | — | — | |
| SCHEMBL21353639 | 0.69 | — | — | |
| SCHEMBL610646 | 0.69 | — | — | |
| SCHEMBL2099870 | 0.69 | — | — | |
| SCHEMBL3002403 | 0.69 | — | — | |
| SCHEMBL704429 | 0.69 | — | — | |
| SCHEMBL11026979 | 0.69 | — | — | |
| SCHEMBL2104411 | 0.68 | — | — |
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-103987774-B | Rubber composition and pneumatic tire | 住友橡胶工业株式会社 | 2018-10-26 | — | — | CN | disclosed |