SCHEMBL20005268

SCHEMBL20005268

CCCCc1ccc2cc(C#Cc3cc(F)c(C(F)(F)Oc4ccc(-c5ccc(-c6cc(F)c(F)c(F)c6)c(F)c5)c(F)c4)cc3C)ccc2c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31

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
SCHEMBL19999654 0.87 ALOX5AP (0.34) S1PR1S1PR3
SCHEMBL19999579 0.87 RARB (0.35) S1PR1S1PR3
SCHEMBL20006946 0.86 ALOX5AP (0.32)
SCHEMBL19999577 0.86 RARB (0.35) S1PR1S1PR3
SCHEMBL19999485 0.86 RARB (0.38) S1PR1S1PR3
SCHEMBL19999523 0.85 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL18747020 0.84 FFAR1 (0.31) S1PR1S1PR3
SCHEMBL19999616 0.83 RARB (0.31)
SCHEMBL18747810 0.83 S1PR1 (0.35) S1PR1S1PR3
SCHEMBL19999651 0.82 S1PR1 (0.31) S1PR1S1PR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed
EP-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed