⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6281698 | 1.00 | — | — | |
| SCHEMBL5546804 | 0.81 | — | — | |
| SCHEMBL31376763 | 0.81 | — | — | |
| SCHEMBL6286662 | 0.81 | — | — | |
| SCHEMBL1472688 | 0.81 | — | — | |
| SCHEMBL25316458 | 0.81 | — | — | |
| SCHEMBL9413595 | 0.71 | — | — | |
| SCHEMBL9812132 | 0.69 | — | — | |
| SCHEMBL25891770 | 0.68 | — | — | |
| SCHEMBL26756668 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6867313-B2 | Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same | TEIJIN LIMITED (JP) | 2005-03-15 | — | — | US | disclosed |
| US-20020132799-A1 | Vitamin D3 dervative and treating agent for inflammatory respiratory disease using same | TEIJIN LIMITED | 2002-09-19 | — | — | US | disclosed |