SCHEMBL15745191

SCHEMBL15745191

CCCc1ccc2cc(-c3ccc(C(F)(F)Oc4cc(F)c(C(F)(F)Oc5cc(F)c(C(F)(F)OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
HRH3 Q9Y5N1 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 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
SCHEMBL15745017 0.98 KIF11 (0.36) KIF11HRH3CYP11B1CYP11B2
SCHEMBL15745054 0.95 KIF11 (0.32) KIF11
SCHEMBL15744839 0.93 HRH3 (0.33) HRH3
SCHEMBL15745105 0.93 HRH3 (0.33) HRH3
SCHEMBL15745074 0.92 KIF11 (0.39) KIF11CYP11B1CYP11B2
SCHEMBL15744917 0.92 KIF11 (0.39) KIF11CYP11B1CYP11B2
SCHEMBL15744826 0.91 KIF11 (0.39) KIF11CYP11B1CYP11B2
SCHEMBL15744566 0.91 KIF11 (0.39) KIF11CYP11B1CYP11B2
SCHEMBL15744808 0.89 GRM2 (0.34) HRH3
SCHEMBL15744527 0.89 DAO (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed