SCHEMBL10180490

SCHEMBL10180490

O=C(Oc1cc(F)c(F)cc1F)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
INPPL1 O15357 1/20 0.31

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
SCHEMBL10180065 0.80 CES2 (0.34) KDM4ETSHRNPSR1TDP1L3MBTL1
SCHEMBL27999254 0.79 CARM1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10179544 0.79 CES2 (0.42) CYP4F2CYP4A11KDM4ETSHRNPSR1
SCHEMBL10181360 0.79 TSHR (0.50) KDM4ETSHRNPSR1TDP1L3MBTL1
SCHEMBL1645878 0.79 CYP4F2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28029176 0.77 CYP4F2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27967595 0.77 CYP4F2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27917198 0.77 CYP4F2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6907595 0.77 CYP4F2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28064017 0.76 CYP4F2 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3

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