⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7649567 | 0.87 | — | — | |
| SCHEMBL6563146 | 0.85 | BACE1 (0.33) | — | |
| SCHEMBL7616233 | 0.84 | LTA4H (0.34) | — | |
| SCHEMBL7611978 | 0.84 | FFAR1 (0.33) | — | |
| SCHEMBL7648525 | 0.84 | BACE1 (0.31) | — | |
| SCHEMBL6563887 | 0.80 | MGMT (0.35) | — | |
| SCHEMBL6564967 | 0.76 | VDR (0.31) | — | |
| SCHEMBL6886432 | 0.76 | VDR (0.31) | — | |
| SCHEMBL6886436 | 0.76 | VDR (0.31) | — | |
| SCHEMBL6563010 | 0.76 | MAPT (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1235824-A1 | VITAMIN D ANALOGUES | Galderma Research & Development, S.N.C. (FR) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001038320-A1 | VITAMIN D ANALOGUES | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2001-05-31 | — | — | WO | disclosed |