SCHEMBL12513363

SCHEMBL12513363

CC1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@@H](C)CC(C)(C)O)C[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 10/20 0.67

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
SCHEMBL12513364 1.00 VDR (0.67) VDR
SCHEMBL15371109 0.90 VDR (0.82) VDR
SCHEMBL10307541 0.90 VDR (0.82) VDR
SCHEMBL19461421 0.90 VDR (0.82) VDR
SCHEMBL10307536 0.90 VDR (0.82) VDR
SCHEMBL15371115 0.90 VDR (0.82) VDR
SCHEMBL12513106 0.90 VDR (0.65) VDR
SCHEMBL764692 0.90 VDR (0.81) VDR
SCHEMBL9009931 0.89 VDR (0.59) VDR
SCHEMBL798360 0.89 VDR (0.59) 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
EP-1601646-B1 2-SUBSTITUTED VITAMIN D ANALOGUES AND THEIR THERAPEUTIC USES LEUVEN K U RES & DEV (BE) 2011-07-27 — — EP disclosed
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