⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9823068 | 0.98 | — | — | |
| SCHEMBL5867297 | 0.94 | — | — | |
| SCHEMBL3048216 | 0.85 | — | — | |
| SCHEMBL8057325 | 0.78 | — | — | |
| SCHEMBL9171155 | 0.77 | — | — | |
| SCHEMBL8768730 | 0.77 | — | — | |
| SCHEMBL2845648 | 0.73 | AKR1B1 (0.42) | — | |
| SCHEMBL8509679 | 0.72 | — | — | |
| SCHEMBL30048731 | 0.71 | — | — | |
| SCHEMBL8745348 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7084133-B2 | Dicarba-closo-dodecaborane derivatives | KAGECHIKA HIROYUKI | 2006-08-01 | — | — | US | disclosed |
| US-7074777-B2 | Vitamin D derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2006-07-11 | — | — | US | disclosed |
| US-20040102417-A1 | Dicarba-closo-dodecaborane derivatives | KAGECHIKA HIROYUKI (JP) | 2004-05-27 | — | — | US | disclosed |
| EP-1364954-A1 | DICARBA-CLOSO-DODECARBORANE DERIVATIVES | Kagechika, Hiroyuki (JP) | 2003-11-26 | — | — | EP | 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 |