⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18572157 | 0.80 | CHRNB2 (0.31) | — | |
| SCHEMBL23609569 | 0.77 | AOC1 (0.32) | — | |
| SCHEMBL20691106 | 0.76 | CHRM5 (0.31) | — | |
| SCHEMBL20691135 | 0.74 | CYP3A4 (0.31) | — | |
| SCHEMBL10585694 | 0.72 | — | — | |
| SCHEMBL18572156 | 0.70 | CHRNB2 (0.32) | — | |
| SCHEMBL18572161 | 0.70 | — | — | |
| SCHEMBL25159163 | 0.66 | CTSD (0.32) | — | |
| SCHEMBL23330242 | 0.63 | — | — | |
| SCHEMBL20470466 | 0.63 | SIGMAR1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2714667-B1 | AMINOOXAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES | DESAI LAXMAN S (US) | 2020-11-25 | — | — | EP | disclosed |