⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4866834 | 1.00 | — | — | |
| SCHEMBL8053130 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL8053135 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL12932242 | 0.74 | — | — | |
| SCHEMBL1191908 | 0.72 | — | — | |
| SCHEMBL1191909 | 0.72 | — | — | |
| SCHEMBL1377897 | 0.71 | — | — | |
| SCHEMBL19359105 | 0.69 | — | — | |
| SCHEMBL13366747 | 0.69 | — | — | |
| SCHEMBL16687629 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7402688-B2 | 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-07-22 | — | — | US | disclosed |
| US-20060160779-A1 | 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin d derivative | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2006-07-20 | — | — | US | disclosed |
| EP-1559708-A1 | 2,2-DI-SUBSTITUTED 1a,25-DIHYDROXY-19-NORVITAMIN D DERIVATIVE | Shimizu, Masato (JP) | 2005-08-03 | — | — | EP | disclosed |