⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5574654 | 0.65 | — | — | |
| SCHEMBL9631271 | 0.64 | — | — | |
| SCHEMBL293870 | 0.62 | — | — | |
| SCHEMBL2276579 | 0.61 | — | — | |
| SCHEMBL1269286 | 0.61 | — | — | |
| SCHEMBL3121951 | 0.61 | — | — | |
| SCHEMBL5427854 | 0.61 | — | — | |
| SCHEMBL192664 | 0.61 | — | — | |
| SCHEMBL21487569 | 0.59 | — | — | |
| SCHEMBL5831129 | 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 |
|---|---|---|---|---|---|---|---|
| WO-1993023039-A1 | SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | claimed |