⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23812161 | 0.86 | CYP1A2 (0.40) | — | |
| SCHEMBL27811721 | 0.85 | CYP19A1 (0.32) | — | |
| SCHEMBL1426533 | 0.79 | — | — | |
| SCHEMBL10045688 | 0.71 | CYP19A1 (0.34) | — | |
| SCHEMBL17735935 | 0.68 | CYP19A1 (0.31) | — | |
| SCHEMBL12572037 | 0.68 | ESR1 (0.31) | — | |
| SCHEMBL1909842 | 0.68 | OPRL1 (0.31) | — | |
| SCHEMBL12424049 | 0.68 | EPHX1 (0.31) | — | |
| SCHEMBL23762204 | 0.67 | CYP19A1 (0.35) | — | |
| SCHEMBL14599451 | 0.67 | CYP19A1 (0.36) | — |
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-0000478-B1 | PROCESS FOR THE PREPARATION OF ACYLOINS | Henkel Kommanditgesellschaft auf Aktien (DE) | 1981-11-25 | — | — | EP | disclosed |