⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2461587 | 0.76 | — | — | |
| SCHEMBL28243298 | 0.74 | CHRNB2 (0.31) | — | |
| SCHEMBL28041199 | 0.72 | — | — | |
| SCHEMBL20548354 | 0.70 | — | — | |
| SCHEMBL20548352 | 0.70 | — | — | |
| SCHEMBL2269082 | 0.67 | — | — | |
| SCHEMBL4883837 | 0.67 | — | — | |
| SCHEMBL9196169 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL2413539 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL13452838 | 0.66 | — | — |
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-105001254-B | The manufacturing method of film material, IV family metal oxide films | 东曹株式会社 | 2018-09-11 | — | — | CN | disclosed |