⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6157501 | 1.00 | — | — | |
| SCHEMBL6160284 | 0.92 | HMGCR (0.32) | — | |
| SCHEMBL6884029 | 0.91 | CYP24A1 (0.30) | — | |
| SCHEMBL6884722 | 0.90 | CYP24A1 (0.31) | — | |
| SCHEMBL6878864 | 0.82 | HMGCR (0.35) | — | |
| SCHEMBL6158268 | 0.72 | BACE1 (0.33) | — | |
| SCHEMBL6157460 | 0.72 | BACE1 (0.33) | — | |
| SCHEMBL6155278 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL6157458 | 0.68 | HMGCR (0.34) | — | |
| SCHEMBL6154774 | 0.68 | HMGCR (0.50) | — |
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-1124779-B1 | VITAMIN D ANALOGUES | GALDERMA RES & DEV (FR) | 2005-02-02 | — | — | EP | disclosed |
| EP-1124779-A1 | VITAMIN D ANALOGUES | Galderma Research & Development, S.N.C. (FR) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026167-A1 | VITAMIN D ANALOGUES | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2000-05-11 | — | — | WO | disclosed |