⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21649434 | 0.78 | — | — | |
| SCHEMBL22784329 | 0.76 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL22776308 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL23879710 | 0.75 | — | — | |
| SCHEMBL24343516 | 0.75 | — | — | |
| SCHEMBL15497027 | 0.74 | — | — | |
| SCHEMBL18898075 | 0.74 | ACHE (0.31) | — | |
| SCHEMBL22784331 | 0.72 | BRD4 (0.44) | — | |
| SCHEMBL22172501 | 0.69 | — | — | |
| SCHEMBL6526223 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9302988-B2 | Fluoromethyl-substituted pyrrole carboxamides | Grünenthal GmbH (DE) | 2016-04-05 | — | — | US | disclosed |
| US-20140066426-A1 | FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES | GRUENENTHAL GMBH (DE) | 2014-03-06 | — | — | US | disclosed |