⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5346026 | 0.73 | — | — | |
| SCHEMBL18270876 | 0.72 | — | — | |
| SCHEMBL18270952 | 0.72 | — | — | |
| SCHEMBL24448453 | 0.71 | — | — | |
| SCHEMBL21765409 | 0.68 | — | — | |
| SCHEMBL10261376 | 0.67 | — | — | |
| SCHEMBL16220005 | 0.67 | — | — | |
| SCHEMBL12909442 | 0.67 | — | — | |
| SCHEMBL8221847 | 0.67 | — | — | |
| SCHEMBL15508658 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023061406-A1 | PARP INHIBITOR CONTAINING FUSED TRI-CYCLIC STRUCTURE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 微境生物医药科技(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |
| WO-2021224489-A1 | NOVEL COMPOUNDS FOR DIAGNOSIS | AC IMMUNE SA (CH) | 2021-11-11 | — | — | WO | disclosed |
| 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 |