⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3283570 | 0.75 | SMYD2 (0.33) | — | |
| SCHEMBL3286411 | 0.69 | CHRM3 (0.31) | — | |
| SCHEMBL3282953 | 0.67 | CYP2C9 (0.30) | — | |
| SCHEMBL3283597 | 0.65 | — | — | |
| SCHEMBL3283417 | 0.61 | SMYD2 (0.34) | — | |
| SCHEMBL3283414 | 0.61 | SMYD2 (0.34) | — | |
| SCHEMBL3284094 | 0.61 | SMYD2 (0.34) | — | |
| SCHEMBL12083759 | 0.61 | CYP3A4 (0.32) | — | |
| SCHEMBL3284095 | 0.61 | SMYD2 (0.34) | — | |
| SCHEMBL3283308 | 0.60 | CYP3A4 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8258126-B2 | Vitamin D3 analogues for the prevention and treatment of bone disorders | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2012-09-04 | — | — | US | disclosed |
| US-20100160455-A1 | VITAMIN D3 ANALOGUES FOR THE PREVENTION AND TREATMENT OF BONE DISORDERS | K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) | 2010-06-24 | — | — | US | disclosed |
| US-7704986-B2 | 5-(((3-((4-Hydroxy,1,5-dimethylhexyl)-2,2,3-(trimethyl)cyclopentyl)-2-propenylidene)cyclohexane-1,3-diol; induce bone matrix formation; mineralization without hypercalcemia; side effect reduction; bone disorders; osteomalacia, renal osteodystrophy, Paget's disease and osteoporosis; skin disorders | K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) | 2010-04-27 | — | — | US | disclosed |
| EP-1809599-B1 | VITAMIN D3 ANALOGUES FOR THE PREVENTION AND TREATMENT OF BONE DISORDERS | LEUVEN K U RES & DEV (BE) | 2008-12-10 | — | — | EP | disclosed |
| US-20080032955-A1 | VITAMIN D3 ANALOGUES FOR THE PREVENTION AND TREATMENT OF BONE DISORDERS | K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) | 2008-02-07 | — | — | US | disclosed |