⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5569776 | 0.92 | — | — | |
| SCHEMBL5570555 | 0.91 | — | — | |
| SCHEMBL5569593 | 0.91 | — | — | |
| SCHEMBL5564785 | 0.87 | CNR1 (0.31) | — | |
| SCHEMBL5569336 | 0.86 | — | — | |
| SCHEMBL5568583 | 0.85 | S1PR1 (0.31) | — | |
| SCHEMBL5569228 | 0.82 | VDR (0.34) | — | |
| SCHEMBL5564932 | 0.82 | S1PR1 (0.33) | — | |
| SCHEMBL5564756 | 0.81 | S1PR1 (0.30) | — | |
| SCHEMBL5565015 | 0.78 | VDR (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7312249-B2 | Vitamin D analogues | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2007-12-25 | — | — | US | claimed |
| US-20050182144-A1 | Novel vitamin D analogues | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2005-08-18 | — | — | US | claimed |
| US-7312249-B2 | Vitamin D analogues | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2007-12-25 | — | — | US | disclosed |
| US-20050182144-A1 | Novel vitamin D analogues | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2005-08-18 | — | — | US | disclosed |