⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2256664 | 0.87 | — | — | |
| SCHEMBL2498160 | 0.77 | RIPK1 (0.31) | — | |
| SCHEMBL5168124 | 0.73 | — | — | |
| SCHEMBL6178484 | 0.73 | ACACB (0.32) | — | |
| SCHEMBL2255605 | 0.73 | — | — | |
| SCHEMBL9671343 | 0.72 | — | — | |
| SCHEMBL9670186 | 0.72 | — | — | |
| SCHEMBL3642757 | 0.72 | — | — | |
| SCHEMBL8842692 | 0.72 | CA1 (0.37) | — | |
| SCHEMBL9734360 | 0.72 | ACACB (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9073885-B2 | Vitamin D3 lactone derivatives | TEIJIN PHARMA LIMITED (JP) | 2015-07-07 | — | — | US | disclosed |
| EP-1589009-B1 | VITAMIN D3 LACTONE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2014-10-08 | — | — | EP | disclosed |
| EP-2363390-A1 | DERIVED LACTAM FROM D3 VITAMIN | Teijin Pharma Limited (JP) | 2011-09-07 | — | — | EP | disclosed |
| US-20110207944-A1 | VITAMIN D3 LACTAM DERIVATIVE | TEIJIN PHARMA LIMITED (JP) | 2011-08-25 | — | — | US | disclosed |
| US-20060148768-A1 | Vitamin d3 lactone derivatives | TEIJIN LIMITED (JP) | 2006-07-06 | — | — | US | disclosed |
| EP-1589009-A1 | VITAMIN D3 LACTONE DERIVATIVE | Teijin Pharma Limited (JP) | 2005-10-26 | — | — | EP | disclosed |