SCHEMBL7566703

SCHEMBL7566703

C[C@H](CCCC(O)c1cocn1)[C@H]1CC[C@H]2/C(=C/C=C3CC(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C3)CCC[C@]12C

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 8/20 0.54

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
SCHEMBL5685012 1.00 VDR (0.54) VDR
SCHEMBL5682573 0.91 VDR (0.49) VDR
SCHEMBL5684975 0.88 VDR (0.52) VDR
SCHEMBL5575920 0.88 VDR (0.67) VDR
SCHEMBL5573967 0.88 VDR (0.67) VDR
SCHEMBL5572980 0.88 VDR (0.67) VDR
SCHEMBL5681030 0.86 VDR (0.60) VDR
SCHEMBL7571443 0.86 VDR (0.60) VDR
SCHEMBL5685297 0.86 VDR (0.53) VDR
SCHEMBL5685271 0.86 VDR (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210327-A2 NEW VITAMIN D DERIVATIVES WITH CYCLIC SUBSTRUCTURES IN THE SIDE CHAINS, METHOD AND INTERMEDIATES FOR THEIR PRODUCTION AND THEIR USE IN THE PREPARATION OF MEDICAMENTS Schering Aktiengesellschaft (DE) 2002-06-05 — — EP disclosed
WO-2001007405-A2 NEW VITAMIN D DERIVATIVES WITH CYCLIC SUBSTRUCTURES IN THE SIDE CHAINS, METHOD AND INTERMEDIATES FOR THEIR PRODUCTION AND THEIR USE IN THE PREPARATION OF MEDICAMENTS SCHERING AKTIENGSELLSCHAFT (DE) 2001-02-01 — — WO disclosed
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