⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL114178 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL2174709 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL9013667 | 0.75 | ANPEP (0.42) | — | |
| Alcohol SCHEMBL28395342 | 0.72 | — | — | |
| SCHEMBL29112894 | 0.70 | — | — | |
| SCHEMBL22832395 | 0.69 | TRPV1 (0.36) | — | |
| SCHEMBL9861317 | 0.68 | CYP2D6 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL2354850 | 0.66 | — | — | |
| SCHEMBL2960334 | 0.66 | — | — | |
| SCHEMBL135373 | 0.65 | ALDH1A1 (0.35) | — |
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-117098792-A | Curable resin composition for photo-molding, cured product, and three-dimensional molded article | DIC株式会社 | 2023-11-21 | — | — | CN | disclosed |