⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19226586 | 0.80 | — | — | |
| SCHEMBL18639751 | 0.77 | — | — | |
| SCHEMBL19622340 | 0.75 | — | — | |
| SCHEMBL24845570 | 0.72 | — | — | |
| SCHEMBL17086952 | 0.72 | — | — | |
| SCHEMBL20340654 | 0.70 | — | — | |
| SCHEMBL22952340 | 0.69 | CYP2C19 (0.31) | — | |
| SCHEMBL18135268 | 0.67 | — | — | |
| SCHEMBL971845 | 0.67 | — | — | |
| SCHEMBL20208570 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3299361-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL | Rhizen Pharmaceuticals S.A. (CH) | 2018-03-28 | — | — | EP | disclosed |