⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13910253 | 0.73 | MEN1 (0.32) | — | |
| SCHEMBL3283392 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL3280401 | 0.65 | POLB (0.31) | — | |
| SCHEMBL3280407 | 0.65 | POLB (0.31) | — | |
| SCHEMBL1255436 | 0.64 | — | — | |
| SCHEMBL623253 | 0.64 | — | — | |
| SCHEMBL3498234 | 0.64 | — | — | |
| SCHEMBL3280228 | 0.64 | — | — | |
| Dimethylformamide SCHEMBL9173325 | 0.63 | TSHR (0.43) | — | |
| SCHEMBL4660733 | 0.62 | DGAT1 (0.46) | — |
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-8609644-B2 | Amino derivatives of androstanes and androstenes as medicaments for cardiovascular disorders | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2013-12-17 | — | — | US | disclosed |
| EP-2004668-B1 | AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA TAU IND FARMACEUTI (IT) | 2013-03-13 | — | — | EP | disclosed |
| US-20110053902-A1 | AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2011-03-03 | — | — | US | disclosed |
| EP-2004668-A2 | AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007118832-A2 | AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2007-10-25 | — | — | WO | disclosed |