⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3158921 | 0.94 | — | — | |
| SCHEMBL3158208 | 0.85 | — | — | |
| SCHEMBL28324453 | 0.81 | FDPS (0.41) | — | |
| SCHEMBL9067327 | 0.80 | FDPS (0.31) | — | |
| SCHEMBL8746267 | 0.78 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL28385960 | 0.76 | — | — | |
| SCHEMBL4890867 | 0.75 | MEN1 (0.35) | — | |
| SCHEMBL3166529 | 0.75 | — | — | |
| SCHEMBL8533663 | 0.75 | FDPS (0.32) | — | |
| SCHEMBL975267 | 0.74 | — | — |
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-1219599-B1 | VITAMIN D DERIVATIVES HAVING SUBSTITUENTS AT THE 2 ALPHA-POSITION | TAKAYAMA HIROAKI (JP) | 2010-03-31 | — | — | EP | disclosed |
| US-20050113349-A1 | 2-Alpha vitamin D derivatives having substituents | HIROAKI TAKAYAMA (JP) | 2005-05-26 | — | — | US | disclosed |
| EP-1219599-A1 | VITAMIN D DERIVATIVES HAVING SUBSTITUENTS AT THE 2 ALPHA-POSITION | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-07-03 | — | — | EP | disclosed |