⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28866941 | 1.00 | — | — | |
| SCHEMBL13755326 | 0.88 | ADRA1A (0.36) | — | |
| SCHEMBL30194868 | 0.80 | — | — | |
| SCHEMBL26780072 | 0.75 | ADRA1A (0.35) | — | |
| SCHEMBL20690444 | 0.72 | ADRA1A (0.54) | — | |
| SCHEMBL29248096 | 0.72 | ADRA1A (0.36) | — | |
| SCHEMBL12256570 | 0.72 | ADRA1A (0.54) | — | |
| SCHEMBL13565774 | 0.70 | LMNA (0.36) | — | |
| SCHEMBL19005734 | 0.70 | CHRNB4 (0.35) | — | |
| SCHEMBL27660997 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114907358-A | Pyridine-containing polycyclic derivative regulator, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-08-16 | — | — | CN | disclosed |
| US-7579344-B2 | Pyrimidine derivatives possessing cell-cycle inhibitors activity | ASTRAZENECA AB (SE) | 2009-08-25 | — | — | US | disclosed |
| US-7579344-B2 | Pyrimidine derivatives possessing cell-cycle inhibitors activity | ASTRAZENECA AB (SE) | 2009-08-25 | — | — | US | disclosed |