⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7223778 | 0.84 | — | — | |
| SCHEMBL9433880 | 0.72 | — | — | |
| SCHEMBL4883436 | 0.70 | — | — | |
| SCHEMBL498203 | 0.69 | — | — | |
| SCHEMBL2051727 | 0.69 | — | — | |
| SCHEMBL11334728 | 0.68 | SLC6A2 (0.36) | — | |
| SCHEMBL11323889 | 0.67 | SLC6A2 (0.38) | — | |
| SCHEMBL11326895 | 0.67 | SLC6A2 (0.38) | — | |
| SCHEMBL11326287 | 0.67 | SLC6A2 (0.38) | — | |
| SCHEMBL1515179 | 0.67 | ALDH1A1 (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5639741-A | STEROIDS TREATING SKIN DISORDERS | MERCK & CO., INC. (US) | 1997-06-17 | — | — | US | claimed |
| EP-0649431-A4 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. | — | 1995-05-03 | — | — | EP | claimed |
| EP-0649431-A1 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1995-04-26 | — | — | EP | claimed |
| WO-1993023038-A1 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | claimed |
| WO-2006093518-A2 | THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS | APATH, LLC (US) | 2006-09-08 | — | — | WO | disclosed |