⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5226191 | 0.94 | — | — | |
| SCHEMBL6938941 | 0.92 | ALDH1A1 (0.35) | — | |
| SCHEMBL18768724 | 0.92 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL9229296 | 0.89 | ALDH1A1 (0.34) | — | |
| SCHEMBL8381117 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL5479293 | 0.76 | LMNA (0.41) | — | |
| SCHEMBL3145985 | 0.75 | — | — | |
| SCHEMBL3141477 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28692014 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL5626467 | 0.73 | ALDH1A1 (0.33) | — |
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-104662021-B | Novel bicyclic pyridinones | 辉瑞大药厂 | 2016-08-24 | — | — | CN | disclosed |