⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3441210 | 1.00 | — | — | |
| SCHEMBL4095631 | 0.85 | — | — | |
| SCHEMBL4095636 | 0.85 | — | — | |
| SCHEMBL3441543 | 0.85 | — | — | |
| SCHEMBL9884595 | 0.85 | — | — | |
| SCHEMBL3441545 | 0.85 | — | — | |
| SCHEMBL3441529 | 0.82 | — | — | |
| SCHEMBL3441531 | 0.82 | — | — | |
| SCHEMBL9884598 | 0.81 | — | — | |
| SCHEMBL3441271 | 0.79 | — | — |
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-8193171-B2 | 13,13-dimethyl-des-C,D analogs of 1α,25-dihydroxy-19-nor-vitamin D3 compounds and topical composition dosage forms and methods of treating skin conditions thereof | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2012-06-05 | — | — | US | disclosed |
| EP-2247563-A1 | 13,13-DIMETHYL-DES-C,D ANALOGS OF 1ALPHA, 25-DIHYDROXY-19-NOR-VITAMIN D3 COMPOUNDS AND TOPICAL COMPOSITION DOSAGE FORMS AND METHODS OF TREATING SKIN CONDITIONS THEREOF | Wisconsin Alumni Research Foundation (US) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009094426-A1 | 13.13-DIMETHYL-DES-C,D ANALOGS OF 1ALPHA, 25-DIHYDROXY-19-NOR-VITAMIN D3 COMPOUNDS AND TOPICAL COMPOSITION DOSAGE FORMS AND METHODS OF TREATING SKIN CONDITIONS | WISCONSIN ALUMNI REASEARCH FOUNDATION (US) | 2009-07-30 | — | — | WO | disclosed |
| US-20090186950-A1 | 13,13-Dimethyl-des-C,D Analogs of 1Alpha,25-Dihydroxy-19-Nor-Vitamin D3 Compounds and Topical Composition Dosage Forms and Methods of Treating Skin Conditions Thereof | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2009-07-23 | — | — | US | disclosed |