⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL25288549 | 0.71 | — | — | |
| SCHEMBL1679524 | 0.67 | — | — | |
| SCHEMBL21422777 | 0.67 | — | — | |
| SCHEMBL991560 | 0.67 | — | — | |
| SCHEMBL5262272 | 0.67 | — | — | |
| SCHEMBL9187321 | 0.67 | — | — | |
| SCHEMBL24235 | 0.67 | — | — | |
| SCHEMBL789294 | 0.67 | — | — | |
| SCHEMBL29779219 | 0.67 | — | — | |
| SCHEMBL6246903 | 0.67 | — | — |
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-0459381-A2 | Process for the preparation of 10-(2-propynyl)ester-4-ene-3,17-dione | MERRELL PHARMACEUTICALS INC. (US) | 1991-12-04 | — | — | EP | claimed |