⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6885229 | 1.00 | — | — | |
| SCHEMBL6888555 | 0.91 | VDR (0.31) | — | |
| SCHEMBL6156006 | 0.91 | VDR (0.31) | — | |
| SCHEMBL6886925 | 0.83 | VDR (0.34) | — | |
| SCHEMBL6158584 | 0.83 | VDR (0.34) | — | |
| SCHEMBL6885668 | 0.80 | MRGPRX4 (0.35) | — | |
| SCHEMBL6156246 | 0.80 | MRGPRX4 (0.35) | — | |
| SCHEMBL6883395 | 0.80 | VDR (0.41) | — | |
| SCHEMBL6155753 | 0.80 | VDR (0.41) | — | |
| SCHEMBL6887848 | 0.76 | VDR (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6689922-B1 | BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION | GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) | 2004-02-10 | — | — | US | disclosed |