⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12963165 | 0.80 | — | — | |
| SCHEMBL13038050 | 0.72 | THRB (0.30) | — | |
| SCHEMBL28424606 | 0.72 | — | — | |
| SCHEMBL2821813 | 0.70 | — | — | |
| SCHEMBL14283617 | 0.70 | — | — | |
| SCHEMBL13381111 | 0.70 | — | — | |
| SCHEMBL2821812 | 0.70 | — | — | |
| SCHEMBL2823795 | 0.70 | — | — | |
| SCHEMBL13398579 | 0.70 | — | — | |
| SCHEMBL4337520 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4105660-A | Preparation of 3β-hydroxy-27-norcholest-5,7-dien-25-one | MERCK & CO., INC. (US) | 1978-08-08 | — | — | US | claimed |
| US-4145346-A | Preparation of 3β-hydroxy-27-norcholest-5-ene-25-one and intermediates thereof | MERCK & CO., INC. (US) | 1979-03-20 | — | — | US | disclosed |
| US-4105660-A | Preparation of 3β-hydroxy-27-norcholest-5,7-dien-25-one | MERCK & CO., INC. (US) | 1978-08-08 | — | — | US | disclosed |