⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28313616 | 0.91 | — | — | |
| SCHEMBL29870204 | 0.70 | ITGAV (0.30) | — | |
| SCHEMBL8347774 | 0.66 | ITGB3 (0.51) | — | |
| SCHEMBL14380645 | 0.66 | — | — | |
| SCHEMBL13680814 | 0.61 | KCNH2 (0.35) | — | |
| SCHEMBL20141262 | 0.61 | FGFR4 (0.39) | — | |
| SCHEMBL2169411 | 0.60 | PDE10A (0.47) | — | |
| SCHEMBL2198010 | 0.58 | KCNH2 (0.41) | — | |
| SCHEMBL23544602 | 0.58 | — | — | |
| SCHEMBL6193822 | 0.58 | SMN1; SMN2 (0.45) | — |
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 |