⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6429594 | 0.90 | — | — | |
| SCHEMBL6429595 | 0.90 | — | — | |
| SCHEMBL628761 | 0.90 | — | — | |
| SCHEMBL2688744 | 0.83 | STAT3 (0.31) | — | |
| SCHEMBL12857870 | 0.79 | — | — | |
| SCHEMBL12304470 | 0.78 | — | — | |
| SCHEMBL3521753 | 0.78 | TOP2A (0.32) | — | |
| SCHEMBL9010571 | 0.76 | — | — | |
| SCHEMBL9070724 | 0.76 | — | — | |
| SCHEMBL1557132 | 0.75 | STAT3 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8664206-B2 | Diastereomers of 2-methylene-19-nor-22-methyl-1α,25-dihydroxyvitamin D3 | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2014-03-04 | — | — | US | disclosed |
| US-20120165300-A1 | DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-06-28 | — | — | US | disclosed |
| US-8030295-B2 | 19,26,27-trinor-1α,25-dihydroxyvitamin D3 compounds | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2011-10-04 | — | — | US | disclosed |
| US-20110237557-A1 | DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2011-09-29 | — | — | US | disclosed |
| US-20110237556-A1 | (20S)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-DIHYDROXYVITAMIN D3 AND (20R)-2-METHYLENE-19-NOR-22-DIMETHYL-1alpha,25-HYDROXYVITAMIN D3 | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2011-09-29 | — | — | US | disclosed |
| US-7704981-B2 | 2-methylene-1alpha,25-dihydroxy-18,19,21-trinorvitamin D3 and uses thereof | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2010-04-27 | — | — | US | disclosed |
| US-20070238705-A1 | 2-Methylene-1Alpha,25-Dihydroxy-18,19,21-Trinorvitamin D3 and Uses Thereof | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2007-10-11 | — | — | US | disclosed |