⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27507090 | 1.00 | — | — | |
| SCHEMBL29253006 | 0.86 | LMNA (0.50) | — | |
| SCHEMBL29154869 | 0.85 | LMNA (0.48) | — | |
| SCHEMBL29154871 | 0.85 | LMNA (0.48) | — | |
| SCHEMBL28384882 | 0.81 | — | — | |
| SCHEMBL514364 | 0.81 | — | — | |
| SCHEMBL988919 | 0.81 | — | — | |
| SCHEMBL4009243 | 0.81 | — | — | |
| SCHEMBL23725742 | 0.80 | — | — | |
| SCHEMBL3504870 | 0.80 | — | — |
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-104781254-B | Can as kinase modulator through the substituted pyridinyl compounds of heteroaryl | 百时美施贵宝公司 | 2016-12-14 | — | — | CN | disclosed |