SCHEMBL7569302

SCHEMBL7569302

Cc1csc(C(O)CCC[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4CC(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C4)CCC[C@]23C)c1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 8/20 0.52

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
SCHEMBL5685188 1.00 VDR (0.52) VDR
SCHEMBL5682386 0.92 VDR (0.50) VDR
SCHEMBL5680971 0.90 VDR (0.48) VDR
SCHEMBL5682384 0.89 VDR (0.50) VDR
SCHEMBL5681032 0.88 VDR (0.53) VDR
SCHEMBL5685238 0.88 VDR (0.52) VDR
SCHEMBL5681000 0.88 VDR (0.52) VDR
SCHEMBL5681030 0.87 VDR (0.60) VDR
SCHEMBL7571443 0.87 VDR (0.60) VDR
SCHEMBL5685069 0.87 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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