⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23528133 | 0.00 | — | — | |
| Methane SCHEMBL23088734 | 0.00 | — | — | |
| Hydrogen Sulfide SCHEMBL23805181 | 0.00 | — | — | |
| SCHEMBL23358113 | 0.00 | — | — | |
| SCHEMBL23462036 | 0.00 | — | — | |
| SCHEMBL23462252 | 0.00 | — | — | |
| SCHEMBL25435013 | 0.00 | — | — | |
| SCHEMBL23462141 | 0.00 | — | — | |
| Potassium Ion SCHEMBL23462035 | 0.00 | CA4 (0.50) | — | |
| Potassium Ion SCHEMBL23462163 | 0.00 | CA4 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0014966-B1 | DES-A-STEROIDS, THEIR PRODUCTION AND SOME DES-A-STEROIDS FOR USE AS MEDICINES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-06-05 | — | — | EP | disclosed |
| EP-0014966-A1 | Des-A-steroids, their production and some des-A-steroids for use as medicines | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1980-09-03 | — | — | EP | disclosed |