⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9800919 | 0.96 | EPHX1 (0.55) | — | |
| SCHEMBL9800917 | 0.96 | EPHX1 (0.55) | — | |
| SCHEMBL9800911 | 0.94 | — | — | |
| SCHEMBL9800920 | 0.94 | — | — | |
| SCHEMBL9800897 | 0.90 | EPHX1 (0.49) | — | |
| SCHEMBL9800896 | 0.90 | EPHX1 (0.49) | — | |
| SCHEMBL9800922 | 0.89 | EPHX1 (0.63) | — | |
| SCHEMBL9800905 | 0.89 | EPHX1 (0.63) | — | |
| SCHEMBL9800923 | 0.86 | MAPK1 (0.56) | — | |
| SCHEMBL9800932 | 0.82 | EPHX2 (0.55) | — |
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-0297610-B1 | N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase | WARNER-LAMBERT COMPANY (US) | 1991-03-13 | — | — | EP | claimed |