⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17495240 | 0.74 | TDP1 (0.40) | — | |
| SCHEMBL225938 | 0.73 | NISCH (0.45) | — | |
| SCHEMBL18883054 | 0.73 | NISCH (0.45) | — | |
| SCHEMBL18286810 | 0.73 | NISCH (0.45) | — | |
| SCHEMBL5687860 | 0.72 | BRD4 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL716595 | 0.72 | NISCH (0.44) | — | |
| SCHEMBL423290 | 0.71 | — | — | |
| SCHEMBL597424 | 0.70 | TOP2A (0.32) | — | |
| SCHEMBL27385775 | 0.70 | SIGMAR1 (0.51) | — | |
| SCHEMBL8781985 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106414429-B | Pyrazole compounds and their use as T-type calcium channel blockers | 爱杜西亚药品有限公司 | 2020-01-03 | — | — | CN | disclosed |
| US-10065929-B2 | Pyrazole compounds and their use as T-type calcium channel blockers | IDORSIA PHARMACEUTICALS LTD (CH) | 2018-09-04 | — | — | US | disclosed |
| US-20180105496-A1 | PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS | IDORSIA PHARMACEUTICALS LTD (CH) | 2018-04-19 | — | — | US | disclosed |
| US-9932314-B2 | Pyrazole compounds and their use as T-type calcium channel blockers | IDORSIA PHARMACEUTICALS LTD (CH) | 2018-04-03 | — | — | US | disclosed |
| EP-3152199-A1 | PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS | Actelion Pharmaceuticals Ltd. (CH) | 2017-04-12 | — | — | EP | disclosed |
| US-20170096399-A1 | PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS | IDORSIA PHARMACEUTICALS LTD (CH) | 2017-04-06 | — | — | US | disclosed |
| WO-2015186056-A1 | PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-12-10 | — | — | WO | disclosed |