⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28301854 | 0.71 | — | — | |
| SCHEMBL29012440 | 0.71 | — | — | |
| SCHEMBL4866958 | 0.71 | — | — | |
| SCHEMBL8907 | 0.71 | — | — | |
| SCHEMBL27510983 | 0.67 | — | — | |
| SCHEMBL2940009 | 0.66 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL3635458 | 0.64 | — | — | |
| SCHEMBL2395318 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL17103524 | 0.62 | ENPP3 (0.38) | — | |
| SCHEMBL1701532 | 0.62 | — | — |
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-102245609-B | Can be used as the Imidazopyridazine formonitrile HCN of kinase inhibitor | BRISTOL-MYERS SQUIBB CO. (US) | 2016-03-09 | — | — | CN | disclosed |