⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20875300 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL975695 | 0.71 | — | — | |
| SCHEMBL14058249 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL9232612 | 0.69 | — | — | |
| SCHEMBL668969 | 0.69 | — | — | |
| SCHEMBL28636834 | 0.69 | — | — | |
| SCHEMBL506047 | 0.69 | — | — | |
| SCHEMBL1470239 | 0.68 | — | — | |
| SCHEMBL28636816 | 0.67 | — | — | |
| SCHEMBL3205147 | 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 |
|---|---|---|---|---|---|---|---|
| US-5374770-A | Polymerization catalysts, surfactants, electrolytes | AUSIMONT S.P.A. (IT) | 1994-12-20 | — | — | US | claimed |