SCHEMBL628819

SCHEMBL628819

[CH2]CC(O)(CC)CC

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1377758 0.84
SCHEMBL270018 0.84
SCHEMBL3167130 0.80 FDPS (0.36)
SCHEMBL733313 0.80
SCHEMBL22032 0.76
SCHEMBL628158 0.73
SCHEMBL6332037 0.72
Ammonia Solution, Strong SCHEMBL584955 0.72
SCHEMBL28041159 0.72
SCHEMBL3515799 0.72

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 148 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327354-A1 Unnatural Analogues of Calcitriol and Uses Thereof VIDASYM, LLC 2018-11-15 US claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
EP-2419403-B1 VITAMIN D RECEPTOR AGONISTS AND USES THEREOF VIDASYM INC (US) 2016-09-07 EP claimed
CN-101970394-B Novel cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA AS 2015-05-27 CN claimed
CN-102482210-B Vitamin D receptor agonists and uses thereof VIDASYM LLC 2015-04-08 CN claimed
US-20120115824-A1 Vitamin D Receptor Agonists and Uses Thereof VIDASYM, LLC (US) 2012-05-10 US claimed
EP-2419403-A1 VITAMIN D RECEPTOR AGONISTS AND USES THEREOF Vidasym, Llc (US) 2012-02-22 EP claimed
JP-4750713-B2 2011-08-17 JP claimed
JP-4717005-B2 2011-07-06 JP claimed
JP-4717006-B2 2011-07-06 JP claimed
EP-1687292-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP claimed
WO-2006069153-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-06-29 WO claimed
WO-2006069154-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-06-29 WO claimed
WO-2005051898-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO claimed
WO-2005051936-A1 PHENYL-FURAN COMPOUNDS AS VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO claimed
WO-2005051893-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO claimed
WO-2005051938-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO claimed
WO-2005051940-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO claimed
EP-1026155-A1 VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-08-09 EP claimed
US-5824811-A 22-Thiavitamin D3 derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1998-10-20 US claimed