SCHEMBL779987

SCHEMBL779987

CCc1cccc(P(=O)(O)CC(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
PTPN5 P54829 2/20 0.38
KAT6A Q92794 2/20 0.35
PDK2 Q15119 1/20 0.33
PGK1 P00558 2/20 0.32
PGK2 P07205 2/20 0.32
RIPK1 Q13546 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ACP3 P15309 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL779900 0.88 PTPN5 (0.33) PTPN5PGK1PGK2ACP3PTPN1
SCHEMBL779318 0.87 BID (0.33) GABRA1GABRB2PTPN5
SCHEMBL777944 0.85 PTPN5 (0.40) GABRA1GABRB2PTPN5PDK2PGK1
SCHEMBL777332 0.83 PGK1 (0.33) PTPN5KAT6APGK1PGK2ACP3
SCHEMBL21611194 0.78 GABRA1 (0.42) GABRA1GABRB2PTPN5KAT6APDK2
SCHEMBL778380 0.76 LIPG (0.37) PTPN5PTPN1
SCHEMBL779751 0.76 FDPS (0.37) PTPN5PGK1PGK2ACP3PTPN1
SCHEMBL4132144 0.75 PTPN1 (0.38) PTPN5PGK1PGK2PTPN1
SCHEMBL776503 0.73 PGK1 (0.38) PTPN5PGK1PGK2KDM4EALDH1A1
SCHEMBL779237 0.72 PTPN5 (0.42) PTPN5

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