⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2175896 | 0.83 | — | — | |
| SCHEMBL6539314 | 0.79 | — | — | |
| SCHEMBL1007264 | 0.79 | — | — | |
| SCHEMBL5615305 | 0.77 | — | — | |
| SCHEMBL452597 | 0.76 | CA2 (0.46) | — | |
| SCHEMBL9622069 | 0.76 | CA2 (0.58) | — | |
| SCHEMBL27634300 | 0.75 | CA2 (0.41) | — | |
| SCHEMBL17414856 | 0.75 | CA2 (0.41) | — | |
| SCHEMBL27438689 | 0.75 | CA2 (0.41) | — | |
| SCHEMBL18610931 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012006038-A2 | AGENTS AND COMPOUNDS FOR IMAGING AND OTHER APPLICATIONS, AND METHODS OF USE AND SYNTHESIS THEREOF | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-01-12 | — | — | WO | disclosed |
| EP-1196428-B1 | 11-BETA-ARYL-17,17-SPIROTHIOLANE-SUBSTITUTED STEROIDS | RES TRIANGLE INST (US) | 2004-09-22 | — | — | EP | disclosed |
| EP-1196428-A4 | 11$g(b)-ARYL-17,17-SPIROTHIOLANE-SUBSTITUTED STEROIDS | RES TRIANGLE INST (US) | 2002-10-16 | — | — | EP | disclosed |
| EP-1196428-A1 | 11$g(b)-ARYL-17,17-SPIROTHIOLANE-SUBSTITUTED STEROIDS | RESEARCH TRIANGLE INSTITUTE (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001007462-A1 | 11β-ARYL-17,17-SPIROTHIOLANE-SUBSTITUTED STEROIDS | RESEARCH TRIANGLE INSTITUTE (US) | 2001-02-01 | — | — | WO | disclosed |
| US-6043235-A | 11β-aryl-17, 17-spirothiolane-substituted steroids | RESEARCH TRIANGLE INSTITUTE (US) | 2000-03-28 | — | — | US | disclosed |