⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28313634 | 0.91 | — | — | |
| SCHEMBL31445527 | 0.73 | — | — | |
| SCHEMBL29870204 | 0.73 | ITGAV (0.30) | — | |
| SCHEMBL30336559 | 0.68 | ITGAV (0.55) | — | |
| SCHEMBL7415000 | 0.68 | ITGAV (0.55) | — | |
| SCHEMBL20481203 | 0.64 | ITGAV (0.57) | — | |
| SCHEMBL20517697 | 0.63 | NOTUM (0.41) | — | |
| SCHEMBL21314546 | 0.63 | FGFR4 (0.38) | — | |
| SCHEMBL6421668 | 0.63 | ITGAV (0.56) | — | |
| SCHEMBL7131055 | 0.63 | PDE10A (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110167934-A | Monocycle and spiro-compound containing cyclobutane and containing azetidine as α V integrin inhibitor | 百时美施贵宝公司 | 2019-08-23 | — | — | CN | disclosed |