⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9794624 | 0.71 | — | — | |
| SCHEMBL6425931 | 0.67 | — | — | |
| SCHEMBL1818549 | 0.64 | — | — | |
| SCHEMBL15534574 | 0.62 | — | — | |
| SCHEMBL20594183 | 0.62 | — | — | |
| SCHEMBL1091567 | 0.60 | — | — | |
| SCHEMBL498009 | 0.60 | — | — | |
| SCHEMBL6755070 | 0.59 | — | — | |
| SCHEMBL2050721 | 0.59 | — | — | |
| SCHEMBL5697608 | 0.59 | — | — |
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-0780397-B1 | New 17alpha-Cyanomethylestra-4,9-dien-derivatives, a process for the production of these compounds and pharmaceutical compositions containing them | JENAPHARM GMBH (DE) | 1998-06-10 | — | — | EP | claimed |