SCHEMBL14107795

SCHEMBL14107795

C[C@@H](OCCC(C)(C)O)C1CCC2/C(=C/C=C3C[C@@H](O)C(C)(O)[C@H](O)C3)CCCC21C

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.77

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
SCHEMBL10125493 0.93 VDR (0.68) VDR
SCHEMBL14107794 0.91 VDR (0.65) VDR
SCHEMBL5792370 0.91 VDR (0.76) VDR
SCHEMBL5792368 0.91 VDR (0.76) VDR
SCHEMBL5792366 0.91 VDR (0.76) VDR
SCHEMBL14107793 0.90 VDR (0.78) VDR
SCHEMBL4168474 0.88 VDR (0.78) VDR
SCHEMBL14107778 0.87 VDR (1.00) VDR
SCHEMBL14107785 0.87 VDR (1.00) VDR
SCHEMBL10125237 0.86 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 — — US disclosed
US-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 — — US disclosed
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