⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12620992 | 1.00 | — | — | |
| SCHEMBL6119513 | 1.00 | — | — | |
| SCHEMBL18085188 | 0.83 | CA2 (0.30) | — | |
| SCHEMBL30999479 | 0.83 | — | — | |
| SCHEMBL7930977 | 0.83 | CA2 (0.30) | — | |
| SCHEMBL15490985 | 0.82 | — | — | |
| SCHEMBL5277346 | 0.81 | — | — | |
| SCHEMBL16796789 | 0.81 | — | — | |
| SCHEMBL16796788 | 0.81 | — | — | |
| SCHEMBL16796790 | 0.80 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1026155-A1 | VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2000-08-09 | — | — | EP | disclosed |