SCHEMBL7937247

SCHEMBL7937247

Fc1ccccc1C(c1ccccc1F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.39
ACHE P22303 1/20 0.36
SLC22A12 Q96S37 2/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD11B1 P28845 1/20 0.33
KIF11 P52732 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL7938028 0.83 KCNN4 (0.50) KCNN4KCNE1KCNQ1NFE2L2HSD11B1
SCHEMBL10686262 0.79 KCNN4 (0.39) KCNN4ACHESLC22A12KCNE1KCNQ1
SCHEMBL7935562 0.78 KIF11 (0.41) KCNN4ACHEKCNE1KCNQ1NFE2L2
SCHEMBL29466225 0.78 SLC22A12 (0.46) KCNN4ACHESLC22A12HSD11B1KIF11
SCHEMBL10602905 0.78 KCNN4 (0.42) KCNN4ACHESLC22A12KCNE1KCNQ1
SCHEMBL169053 0.78 SLC22A12 (0.46) KCNN4ACHESLC22A12HSD11B1KIF11
SCHEMBL8630737 0.77 NFKB1 (0.35) ALDH1A1POLBTDP1L3MBTL1CES1
SCHEMBL30757407 0.76 KCNN4 (0.41) KCNN4ACHESLC22A12KCNE1KCNQ1
Ammonia Solution, Strong SCHEMBL2163470 0.76 SLC22A12 (0.44) KCNN4SLC22A12HSD11B1KIF11ALDH1A1
SCHEMBL1600455 0.76 KCNN4 (0.41) KCNN4ACHESLC22A12KCNE1KCNQ1

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-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
US-4866156-A Poly(arylether) or poly(arylthioether) from 2,2-bis(fluorophenyl)-hexafluoropropane HUGHES AIRCRAFT COPMANY (US) 1989-09-12 US disclosed