⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14875283 | 1.00 | — | — | |
| SCHEMBL14875280 | 1.00 | — | — | |
| SCHEMBL18204657 | 0.68 | SLC6A12 (0.38) | — | |
| SCHEMBL2996657 | 0.68 | SLC6A12 (0.38) | — | |
| SCHEMBL2996659 | 0.68 | SLC6A12 (0.38) | — | |
| SCHEMBL14738542 | 0.68 | SLC6A12 (0.38) | — | |
| SCHEMBL5507145 | 0.68 | SLC6A12 (0.38) | — | |
| SCHEMBL2996660 | 0.68 | SLC6A12 (0.38) | — | |
| SCHEMBL31721611 | 0.68 | GPR119 (0.30) | — | |
| SCHEMBL17854943 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2768803-B1 | 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES | WISCONSIN ALUMNI RES FOUND (US) | 2017-11-22 | — | — | EP | disclosed |
| EP-2768803-A1 | 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES | Wisconsin Alumni Research Foundation (US) | 2014-08-27 | — | — | EP | disclosed |
| US-8729054-B2 | 3-desoxy-2-methylene-vitamin D analogs and their uses | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2014-05-20 | — | — | US | disclosed |
| US-8455467-B2 | 2-methylene-vitamin D analogs and their uses | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-06-04 | — | — | US | disclosed |
| WO-2013059021-A1 | 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-04-25 | — | — | WO | disclosed |
| US-20130102573-A1 | 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-04-25 | — | — | US | disclosed |
| US-20130102567-A1 | 3-Desoxy-2-Methylene-Vitamin D Analogs and Their Uses | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-04-25 | — | — | US | disclosed |