⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8416232 | 0.92 | — | — | |
| SCHEMBL8817275 | 0.79 | — | — | |
| SCHEMBL4430950 | 0.71 | — | — | |
| SCHEMBL3854162 | 0.71 | — | — | |
| SCHEMBL12634928 | 0.71 | — | — | |
| SCHEMBL23308142 | 0.63 | ODC1 (0.56) | — | |
| SCHEMBL64659 | 0.63 | — | — | |
| SCHEMBL13185220 | 0.61 | — | — | |
| SCHEMBL11556007 | 0.60 | ODC1 (0.53) | — | |
| SCHEMBL997514 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0749977-B1 | 17-hydroxyiminoalkyl and 17-hydroxyiminomethylalkenyl cyclopentaneperhydrophenanthrene derivatives active on the cardiovascular system, a process for their preparation and pharmaceutical compositions containing same | SIGMA TAU IND FARMACEUTI (IT) | 1999-08-18 | — | — | EP | disclosed |
| US-5792759-A | STEROIDS, USEFUL FOR TREATEMENT OF HEART FAILURE AND HYPERTENSION | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 1998-08-11 | — | — | US | disclosed |
| EP-0749977-A2 | Novel 17-hydroxyiminoalkyl and 17-hydroxyiminomethylalkenyl cyclopentaneperhydrophenanthrene derivatives active on the cardiovascular system, a process for their preparation and pharmaceutical compositions containing same | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1996-12-27 | — | — | EP | disclosed |