⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3836092 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL28252322 | 0.73 | — | — | |
| SCHEMBL7526926 | 0.73 | — | — | |
| SCHEMBL9357482 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL28929947 | 0.69 | — | — | |
| Ethylamine SCHEMBL962553 | 0.69 | — | — | |
| SCHEMBL9257686 | 0.69 | — | — | |
| SCHEMBL28315104 | 0.68 | — | — | |
| SCHEMBL14964182 | 0.68 | OPRM1 (0.35) | — | |
| SCHEMBL3688975 | 0.67 | — | — |
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-107148451-B | Polyamide composition and molded article formed from same | 宇部兴产株式会社 | 2021-03-30 | — | — | CN | disclosed |