⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30601954 | 0.73 | — | — | |
| SCHEMBL1140316 | 0.73 | — | — | |
| SCHEMBL9019386 | 0.72 | — | — | |
| SCHEMBL131823 | 0.69 | — | — | |
| SCHEMBL622612 | 0.69 | — | — | |
| SCHEMBL9643382 | 0.68 | — | — | |
| SCHEMBL28791801 | 0.67 | — | — | |
| SCHEMBL133875 | 0.67 | CYP19A1 (0.33) | — | |
| SCHEMBL4675181 | 0.67 | CYP19A1 (0.33) | — | |
| SCHEMBL1448144 | 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-105916855-A | Substituted 4,5,6, 7-tetrahydropyrazolo [1,5-a ] pyrazine derivatives as casein kinase 1D/E inhibitors | 百时美施贵宝公司 | 2016-08-31 | — | — | CN | disclosed |