⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6429497 | 0.81 | — | — | |
| SCHEMBL5867297 | 0.77 | — | — | |
| SCHEMBL8745362 | 0.75 | — | — | |
| SCHEMBL5867209 | 0.71 | — | — | |
| SCHEMBL9823068 | 0.69 | — | — | |
| SCHEMBL3048216 | 0.67 | — | — | |
| SCHEMBL8745303 | 0.67 | — | — | |
| SCHEMBL8767489 | 0.67 | — | — | |
| SCHEMBL11185117 | 0.66 | — | — | |
| SCHEMBL11687935 | 0.66 | — | — |
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 4 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-0947504-B1 | 16-ENE-VITAMIN D DERIVATIVES | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2003-09-03 | — | — | EP | disclosed |
| EP-1275643-A1 | VITAMIN D DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-01-15 | — | — | EP | disclosed |