SCHEMBL14959189

SCHEMBL14959189

C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)/C=C/CC(C)(C)OC)CC[C@@H]23)C[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 6/20 0.66

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
SCHEMBL12712528 0.91 VDR (0.70) VDR
SCHEMBL12712505 0.90 VDR (0.69) VDR
SCHEMBL9010457 0.90 VDR (0.69) VDR
SCHEMBL12712502 0.86 VDR (0.51) VDR
SCHEMBL10020259 0.86 VDR (0.78) VDR
SCHEMBL10019059 0.86 VDR (0.78) VDR
SCHEMBL13525336 0.86 VDR (0.78) VDR
SCHEMBL13297521 0.86 VDR (0.78) VDR
SCHEMBL14219118 0.85 VDR (0.71) VDR
SCHEMBL14494378 0.85 VDR (0.73) 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-8445468-B2 (20S,22E)-2-methylene-19-nor-22-ene-1α,25-dihydroxyvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-05-21 — — US disclosed
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