⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4865271 | 0.74 | QDPR (0.40) | — | |
| SCHEMBL13647405 | 0.74 | QDPR (0.40) | — | |
| SCHEMBL24139975 | 0.72 | ALOX15 (0.37) | — | |
| SCHEMBL31718158 | 0.70 | QDPR (0.63) | — | |
| SCHEMBL15030369 | 0.69 | QDPR (0.64) | — | |
| SCHEMBL91421 | 0.69 | — | — | |
| SCHEMBL8085794 | 0.67 | — | — | |
| SCHEMBL17378312 | 0.67 | — | — | |
| SCHEMBL10875066 | 0.67 | — | — | |
| SCHEMBL24082515 | 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-20230365605-A1 | BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT | 2023-11-16 | — | — | US | disclosed |
| WO-2007117558-A2 | ANTIOXIDANTS AND METHODS OF THEIR USE | MICHIGAN STATE UNIVERSITY (US) | 2007-10-18 | — | — | WO | disclosed |