⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8926340 | 1.00 | — | — | |
| SCHEMBL8926909 | 1.00 | — | — | |
| SCHEMBL8926336 | 1.00 | — | — | |
| SCHEMBL8926344 | 1.00 | — | — | |
| SCHEMBL8926898 | 0.91 | — | — | |
| SCHEMBL8927168 | 0.91 | — | — | |
| SCHEMBL8926935 | 0.91 | — | — | |
| SCHEMBL8926943 | 0.91 | — | — | |
| SCHEMBL8926811 | 0.90 | SRD5A1 (0.52) | — | |
| SCHEMBL8927028 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993023039-A1 | SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | claimed |