⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8014722 | 1.00 | — | — | |
| SCHEMBL28297972 | 0.75 | — | — | |
| SCHEMBL17219496 | 0.75 | — | — | |
| SCHEMBL3940041 | 0.71 | — | — | |
| SCHEMBL3939615 | 0.71 | — | — | |
| SCHEMBL9918187 | 0.63 | — | — | |
| SCHEMBL14316551 | 0.63 | — | — | |
| SCHEMBL276876 | 0.63 | — | — | |
| SCHEMBL270893 | 0.63 | — | — | |
| SCHEMBL497943 | 0.58 | — | — |
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-6072062-A | Synthesis of C18 -modified vitamin D compounds and compounds resulting therefrom | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 2000-06-06 | — | — | US | disclosed |
| US-5637742-A | Vitamin D compound, method of preparing this compound and intermediate therefor | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1997-06-10 | — | — | US | disclosed |
| EP-0521550-B1 | Vitamin D compound, method of preparing this compound and intermediate therefor | DUPHAR INT RES (NL) | 1996-09-18 | — | — | EP | disclosed |
| US-5403940-A | Vitamin D compound, method of preparing this compound and intermediate thereof | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1995-04-04 | — | — | US | disclosed |
| EP-0521550-A2 | Vitamin D compound, method of preparing this compound and intermediate therefor | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1993-01-07 | — | — | EP | disclosed |