⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34509 | 0.76 | — | — | |
| Ethylene SCHEMBL28036632 | 0.73 | — | — | |
| Water SCHEMBL3259208 | 0.73 | — | — | |
| SCHEMBL13780778 | 0.69 | — | — | |
| Propene SCHEMBL23631718 | 0.67 | TYMP (0.36) | — | |
| Vinyl Ether SCHEMBL6895318 | 0.67 | — | — | |
| SCHEMBL1538375 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL36823 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL20582128 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL143831 | 0.67 | ALDH1A1 (0.38) | — |
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-112442154-A | Composite silicon hydrogel corneal contact lens material and preparation method thereof | 海昌隐形眼镜有限公司 | 2021-03-05 | — | — | CN | claimed |