SCHEMBL8992701

SCHEMBL8992701

C=C(COCC(CC)(CC)O[Si](C)(C)C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@]12C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 10/20 0.36

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
SCHEMBL9009499 0.92 VDR (0.38) VDR
SCHEMBL8831492 0.92 VDR (0.37) VDR
SCHEMBL9009404 0.87 VDR (0.39) VDR
SCHEMBL8993077 0.80 VDR (0.38) VDR
SCHEMBL8831291 0.80 VDR (0.37) VDR
SCHEMBL8992852 0.77 VDR (0.38) VDR
SCHEMBL6846517 0.76 VDR (0.39) VDR
SCHEMBL8527332 0.76 VDR (0.38) VDR
SCHEMBL8831303 0.76 VDR (0.49) VDR
SCHEMBL8831308 0.76 VDR (0.55) 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-0647219-B1 DERIVATIVES IN THE VITAMIN D SERIES MODIFIED AT THE 20 POSITION, A METHOD OF PREPARING SUCH DERIVATIVES, INTERMEDIATES USED IN THIS METHOD, PHARMACEUTICAL PREPARATIONS CONTAINING THE DERIVATIVES AND THEIR USE IN THE PREPARATION OF DRUGS SCHERING AG (DE) 1996-07-31 — — EP disclosed
Send feedback