SCHEMBL7929172

SCHEMBL7929172

CC(C)(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.50
ESR1 P03372 3/20 0.50
ESR2 Q92731 2/20 0.50
ACHE P22303 1/20 0.48
KIF11 P52732 1/20 0.42
NFE2L2 Q16236 1/20 0.41
CYP19A1 P11511 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PTPN1 P18031 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CHRM3 P20309 1/20 0.37

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
SCHEMBL16191248 0.93 KCNN4 (0.50) KCNN4ESR1ESR2ACHEKIF11
SCHEMBL7929145 0.91 ESR1 (0.53) KCNN4ESR1ESR2ACHEKIF11
SCHEMBL16192439 0.88 ESR1 (0.50) KCNN4ESR1ESR2ACHENFE2L2
SCHEMBL179310 0.85 KCNN4 (0.50) KCNN4ACHEKIF11NFE2L2CYP19A1
SCHEMBL27969257 0.83 TAAR1 (0.51) KCNN4ESR1ESR2KIF11
SCHEMBL25134589 0.83 KCNN4 (0.48) KCNN4ACHEKIF11NFE2L2CYP19A1
SCHEMBL13804872 0.83 KCNN4 (0.48) KCNN4ACHEKIF11NFE2L2CYP19A1
SCHEMBL25134588 0.83 KCNN4 (0.48) KCNN4ACHEKIF11NFE2L2CYP19A1
SCHEMBL7940664 0.82 KIF11 (0.41) KCNN4ESR1ESR2ACHEKIF11
SCHEMBL24824473 0.81 KCNN4 (0.52) KCNN4ESR1ESR2ACHEKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9419307-B2 Organic electrolyte and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORPORATION (JP) 2016-08-16 US disclosed
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
US-20140370375-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-12-18 US disclosed
EP-2797154-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
US-20140302387-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-10-09 US disclosed
EP-2784868-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-01 EP disclosed
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