SCHEMBL779181

SCHEMBL779181

CCc1ccccc1C(C(F)(F)F)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.40
ACP3 P15309 5/20 0.40
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
PTPN1 P18031 1/20 0.35
PDK2 Q15119 1/20 0.35
PGK1 P00558 4/20 0.34
PGK2 P07205 4/20 0.34
ANPEP P15144 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
ERAP2 Q6P179 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
SCHEMBL777991 0.79 ACP3 (0.53) PTPN5ACP3PTPN1PGK1PGK2
SCHEMBL27281359 0.73 GABRA1 (0.40) PTPN5GABRA1GABRB2CYP3A4CYP2D6
SCHEMBL170512 0.71 SRC (0.54) ACP3PTPN1PGK1PGK2
SCHEMBL11602112 0.69 CYP3A4 (0.51) GABRA1GABRB2CYP3A4CYP2D6SLC6A2
Phosphoric Acid SCHEMBL29175454 0.69 ACP3 (0.45) ACP3CYP2D6ANPEP
SCHEMBL11425704 0.69 ACP3 (0.38) PTPN5ACP3GABRA1GABRB2CYP3A4
Phosphoric Acid SCHEMBL28176644 0.69 GABRA1 (0.52) PTPN5ACP3GABRA1GABRB2
SCHEMBL11294509 0.68 GABRA1 (0.43) GABRA1GABRB2CYP3A4CYP2D6SLC6A2
SCHEMBL778197 0.68 PTPN5 (0.44) PTPN5ACP3
SCHEMBL8097087 0.68 GABRA1 (0.41) GABRA1GABRB2CYP3A4CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed