SCHEMBL7735331

SCHEMBL7735331

CCc1ccc(C(F)(F)Oc2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
PDE2A O00408 2/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 2/20 0.31
MAOB P27338 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL7729688 0.97 TSHR (0.36) KIF11LMNAPDE2ATSHRMAOB
SCHEMBL16258067 0.95 MAOB (0.34) KIF11LMNATAAR1PDE2ATSHR
SCHEMBL20111064 0.89 KIF11 (0.33) KIF11LMNATAAR1PDE2ATSHR
SCHEMBL14382041 0.88 CYP1A2 (0.41) CYP1A2CYP2A6
SCHEMBL7729284 0.88 KIF11 (0.32) KIF11LMNATAAR1PDE2ATSHR
SCHEMBL7722934 0.88 TAAR1 (0.35) LMNATAAR1GAAMAOBNPC1
SCHEMBL7730202 0.87 DAO (0.36) TAAR1TSHRMAOBEPHX2NR1H4
SCHEMBL7735122 0.86 TSHR (0.32) KIF11TSHRMAOBEPHX2NR1H4
SCHEMBL7731008 0.86 TSHR (0.35) PDE2ATSHREPHX2NR1H4
SCHEMBL7730668 0.86 MAOB (0.33) PDE2ATSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180119011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-05-03 US disclosed
US-20170355906-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-12-14 US disclosed
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed