⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170620 | 0.75 | — | — | |
| SCHEMBL15499280 | 0.72 | — | — | |
| SCHEMBL24865884 | 0.71 | — | — | |
| SCHEMBL11991761 | 0.70 | DRD4 (0.30) | — | |
| SCHEMBL80673 | 0.67 | — | — | |
| SCHEMBL1817826 | 0.67 | — | — | |
| SCHEMBL20054448 | 0.66 | — | — | |
| SCHEMBL8272528 | 0.64 | — | — | |
| SCHEMBL23394775 | 0.62 | — | — | |
| SCHEMBL18704856 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083597-B1 | FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS | GRUENENTHAL GMBH (DE) | 2017-11-22 | — | — | EP | disclosed |
| US-20160289186-A1 | FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III | GRUENENTHAL GMBH (DE) | 2016-10-06 | — | — | US | disclosed |
| US-9302988-B2 | Fluoromethyl-substituted pyrrole carboxamides | Grünenthal GmbH (DE) | 2016-04-05 | — | — | US | disclosed |
| WO-2015090603-A1 | FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III | Grünenthal GmbH (DE) | 2015-06-25 | — | — | WO | disclosed |
| US-20140066426-A1 | FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES | GRUENENTHAL GMBH (DE) | 2014-03-06 | — | — | US | disclosed |