SCHEMBL14107936

SCHEMBL14107936

CCC(C)(/C=C/C=C/[C@@H](C)C1CCC2/C(=C/C=C3C[C@@H](O)C(=CCO[Si](C)(C)C(C)(C)C)[C@H](O)C3)CCCC21C)CC

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 14/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL14107938 0.91 VDR (0.47) VDR
SCHEMBL14107928 0.85 VDR (0.54) VDR
SCHEMBL14107927 0.82 VDR (0.50) VDR
SCHEMBL14107948 0.82 VDR (0.55) VDR
SCHEMBL14107807 0.82 VDR (0.67) VDR
SCHEMBL14107943 0.81 VDR (0.63) VDR
SCHEMBL14107951 0.78 VDR (0.52) VDR
SCHEMBL14107931 0.78 VDR (0.49) VDR
SCHEMBL14107930 0.77 VDR (0.52) VDR
SCHEMBL14107929 0.77 VDR (0.70) VDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 — — US disclosed
Send feedback