⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6817521 | 1.00 | — | — | |
| SCHEMBL6817519 | 1.00 | — | — | |
| SCHEMBL20243233 | 0.87 | CTDSP1 (0.32) | — | |
| SCHEMBL20243736 | 0.87 | CTDSP1 (0.32) | — | |
| SCHEMBL9115144 | 0.80 | — | — | |
| SCHEMBL20243249 | 0.79 | STAT3 (0.30) | — | |
| SCHEMBL6817670 | 0.79 | STAT3 (0.30) | — | |
| SCHEMBL8077670 | 0.79 | STAT3 (0.30) | — | |
| SCHEMBL8071840 | 0.79 | STAT3 (0.30) | — | |
| SCHEMBL8071841 | 0.79 | STAT3 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1200399-B1 | VITAMIN D3 ANALOGS | HOFFMANN LA ROCHE (CH) | 2004-03-24 | — | — | EP | disclosed |
| EP-1200399-A1 | VITAMIN D3 ANALOGS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-02 | — | — | EP | disclosed |
| US-6331642-B1 | Vitamin D3 analogs | HOFFMANN-LA ROCHE INC. | 2001-12-18 | — | — | US | disclosed |
| WO-2001004089-A1 | VITAMIN D3 ANALOGS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-18 | — | — | WO | disclosed |