SCHEMBL7575616

SCHEMBL7575616

C[C@H](CCCC(O)c1ccc(C(F)(F)F)cc1)[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 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 10/20 0.58

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
SCHEMBL5685065 1.00 VDR (0.58) VDR
SCHEMBL7571443 0.92 VDR (0.60) VDR
SCHEMBL5681030 0.92 VDR (0.60) VDR
SCHEMBL7577083 0.91 VDR (0.58) VDR
SCHEMBL5685088 0.91 VDR (0.58) VDR
SCHEMBL5681125 0.90 VDR (0.51) VDR
SCHEMBL5682407 0.89 VDR (0.59) VDR
SCHEMBL5681032 0.86 VDR (0.53) VDR
SCHEMBL5685069 0.84 VDR (0.53) VDR
SCHEMBL7566703 0.84 VDR (0.54) 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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