⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5153053 | 0.74 | — | — | |
| SCHEMBL5153059 | 0.74 | — | — | |
| SCHEMBL1191438 | 0.72 | — | — | |
| SCHEMBL1191440 | 0.72 | — | — | |
| SCHEMBL14134591 | 0.70 | — | — | |
| SCHEMBL1190807 | 0.70 | — | — | |
| SCHEMBL1190808 | 0.70 | — | — | |
| SCHEMBL9726156 | 0.68 | — | — | |
| SCHEMBL5152707 | 0.67 | — | — | |
| SCHEMBL17162528 | 0.67 | — | — |
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-7074777-B2 | Vitamin D derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2006-07-11 | — | — | US | disclosed |
| US-20030195176-A1 | Vitamin d derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-10-16 | — | — | US | disclosed |
| EP-1275643-A1 | VITAMIN D DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-01-15 | — | — | EP | disclosed |