⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28025398 | 0.89 | — | — | |
| SCHEMBL28025349 | 0.84 | — | — | |
| SCHEMBL6071776 | 0.80 | — | — | |
| SCHEMBL28041980 | 0.80 | — | — | |
| Ethylenediamine SCHEMBL28105159 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL28190702 | 0.76 | — | — | |
| SCHEMBL692446 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL1069228 | 0.73 | — | — | |
| SCHEMBL27991522 | 0.73 | — | — | |
| SCHEMBL1248532 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103607994-B | Composition comprising alkoxysilane and modified starch and cosmetic use thereof | 莱雅公司 | 2019-01-01 | — | — | CN | claimed |
| CN-102143791-B | Aldehyde reducing compositions | ARMSTRONG WORLD INDUSTRIES, INC. (US) | 2015-11-25 | — | — | CN | claimed |