SCHEMBL7522786

SCHEMBL7522786

Oc1ccc(OC(F)(F)C(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PDE2A O00408 1/20 0.40
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ESR1 P03372 6/20 0.35
ESR2 Q92731 4/20 0.35
KIF11 P52732 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL1253983 0.82 EPHX2 (0.54) PDE2AEPHX2ESR1ESR2KIF11
SCHEMBL29623512 0.82 EPHX2 (0.54) PDE2AEPHX2ESR1ESR2KIF11
SCHEMBL9447622 0.78 KDM4E (0.45) ALDH1A1PDE2AEPHX2TDP1L3MBTL1
SCHEMBL7807251 0.78 TRPV1 (0.40) ALDH1A1PDE2AEPHX2TDP1L3MBTL1
SCHEMBL9814418 0.76 KIF11 (0.40) ALDH1A1TDP1L3MBTL1POLBMEN1
SCHEMBL9368212 0.76 ALDH1A1 (0.40) ALDH1A1TDP1L3MBTL1POLBMEN1
SCHEMBL7779435 0.75 ESR1 (0.38) ALDH1A1PDE2AMEN1KMT2AMAPT
SCHEMBL18559875 0.75 TAAR1 (0.33) ALDH1A1TDP1MAPT
SCHEMBL9447549 0.72 ALDH1A1 (0.75) ALDH1A1EPHX2TDP1L3MBTL1POLB
SCHEMBL25798362 0.71 PDE2A (0.38) PDE2AEPHX2ESR1ESR2

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
EP-0844229-B1 Polyhaloalkyl ether derivatives as well as liquid crystal compositions and liquid crystal display elements containing them CHISSO CORP (JP) 2002-02-06 EP disclosed
US-6187223-B1 SUITABLE AS AN ELECTROOPTIC DISPLAY MATERIAL CHISSO CORPORATION (JP) 2001-02-13 US disclosed
EP-1029842-A2 Polyhaloalkyl ether derivatives as well as liquid crystal compositions and liquid crystal display elements containing them CHISSO CORPORATION (JP) 2000-08-23 EP disclosed
US-6007740-A USED PARTICULARLY TO LOWER THRESHOLD VOLTAGE OF LIQUID CRYSTAL COMPOSITIONS, TO ENLARGE A NEMATIC RANGE, SUCH AS INCREASE IN CLEAR POINT OF LIQUID CRYSTAL COMPOSITIONS AND CONTROL REFRACTIVE ANISOTROPIC VALUE CHISSO CORPORATION (JP) 1999-12-28 US disclosed
EP-0844229-A1 Polyhaloalkyl ether derivatives as well as liquid crystal compositions and liquid crystal display elements containing them CHISSO CORPORATION (JP) 1998-05-27 EP disclosed