SCHEMBL10180694

SCHEMBL10180694

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
CES2 O00748 6/20 0.41
CES1 P23141 6/20 0.41
SLC2A1 P11166 1/20 0.39
SLC2A4 P14672 1/20 0.39
BCHE P06276 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALB P02768 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 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
SCHEMBL10180371 0.82 CES2 (0.42) CES2CES1BCHEL3MBTL1
SCHEMBL10180334 0.79 CES2 (0.38) KMT2ACES2CES1L3MBTL1NPSR1
SCHEMBL10180146 0.79 CES2 (0.42) KMT2ACES2CES1SLC2A1SLC2A4
SCHEMBL935390 0.79 KMT2A (0.43) KMT2ACES2CES1SLC2A1SLC2A4
SCHEMBL3987193 0.78 CES2 (0.48) KMT2ACES2CES1SLC2A1SLC2A4
SCHEMBL18668623 0.78 CES2 (0.48) KMT2ACES2CES1SLC2A1SLC2A4
SCHEMBL18697360 0.78 CES2 (0.48) KMT2ACES2CES1SLC2A1SLC2A4
SCHEMBL10180088 0.78 ALDH1A1 (0.47) KMT2ACES2CES1L3MBTL1NPSR1
SCHEMBL15647419 0.74 ALDH1A1 (0.45) KMT2ACES2CES1SLC2A1SLC2A4
SCHEMBL1994318 0.74 KMT2A (0.49) KMT2ACES2CES1SLC2A1SLC2A4

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