⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7003045 | 0.78 | — | — | |
| SCHEMBL3891641 | 0.75 | — | — | |
| SCHEMBL6524981 | 0.74 | — | — | |
| SCHEMBL29865798 | 0.74 | — | — | |
| SCHEMBL3882379 | 0.73 | — | — | |
| SCHEMBL13849333 | 0.72 | APLNR (0.36) | — | |
| SCHEMBL15755135 | 0.72 | — | — | |
| SCHEMBL4107663 | 0.72 | — | — | |
| SCHEMBL13849334 | 0.71 | — | — | |
| SCHEMBL15929572 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090124819-A1 | 2-SUBSTITUTED VITAMIN D DERIVATIVES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2009-05-14 | — | — | US | disclosed |
| US-20090124819-A1 | 2-SUBSTITUTED VITAMIN D DERIVATIVES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2009-05-14 | — | — | US | disclosed |
| EP-1466900-B1 | 2-SUBSTITUTED VITAMIN D DERIVATIVES | TAKAYAMA HIROAKI (JP) | 2009-01-14 | — | — | EP | disclosed |
| US-20050131242-A1 | 2-substituted vitamin d derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-06-16 | — | — | US | disclosed |
| EP-1466900-A1 | 2-SUBSTITUTED VITAMIN D DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2004-10-13 | — | — | EP | disclosed |