SCHEMBL10180032

SCHEMBL10180032

O=C(Oc1c(F)cccc1F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
CES1 P23141 5/20 0.41
CES2 O00748 4/20 0.41
SLC2A1 P11166 1/20 0.39
SLC2A4 P14672 1/20 0.39
BCHE P06276 1/20 0.38
ALB P02768 1/20 0.35
NR3C1 P04150 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPAS1 Q99814 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TTR P02766 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
SCHEMBL10179857 0.84 KMT2A (0.41) KMT2ACES1CES2SLC2A1SLC2A4
SCHEMBL10181456 0.82 CES2 (0.42) CES1CES2BCHE
SCHEMBL17552761 0.80 RIPK1 (0.46) KMT2ACES1CES2
SCHEMBL10181554 0.79 CES2 (0.38) KMT2ACES1CES2
SCHEMBL3693664 0.79 ELANE (0.39) KMT2ACES1SLC2A1SLC2A4
SCHEMBL10181532 0.79 CES2 (0.42) KMT2ACES1CES2SLC2A1SLC2A4
SCHEMBL18668623 0.78 CES2 (0.48) KMT2ACES1CES2SLC2A1SLC2A4
SCHEMBL18697360 0.78 CES2 (0.48) KMT2ACES1CES2SLC2A1SLC2A4
SCHEMBL3987193 0.78 CES2 (0.48) KMT2ACES1CES2SLC2A1SLC2A4
SCHEMBL2651599 0.78 FAAH (0.44) KMT2ACES1CES2NPC1RAB9A

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
CN-104112870-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-10-22 CN disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
CN-102484281-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2012-05-30 CN disclosed