SCHEMBL19993377

SCHEMBL19993377

Cc1c(OC(F)(F)F)ccc(-c2c(I)cc(Cc3cc(I)c(-c4ccc(OC(F)(F)F)c(I)c4I)c(I)c3)cc2I)c1I

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.31
GPR3 P46089 1/20 0.30

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
SCHEMBL22621230 0.92 GPR3 (0.33) GPR3
SCHEMBL19993407 0.90 S1PR1 (0.33) S1PR1GPR3
SCHEMBL19993368 0.87 CA2 (0.31) GPR3
SCHEMBL19993378 0.80 S1PR1 (0.31) S1PR1GPR3
SCHEMBL22621190 0.78 GPR3 (0.33) GPR3
SCHEMBL19993424 0.72 CASR (0.35) S1PR1GPR3
SCHEMBL22621169 0.71 GRIA1 (0.32)
SCHEMBL19993408 0.70 GPR3 (0.33) GPR3
SCHEMBL19993405 0.70 GPR3 (0.35) S1PR1GPR3
SCHEMBL19993372 0.68 GPR3 (0.33) GPR3

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
WO-2018050573-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-03-22 WO disclosed