SCHEMBL778595

SCHEMBL778595

O=P(O)(c1ccccc1CC(F)(F)F)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN5 P54829 5/20 0.33
PTPN2 P17706 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
FDPS P14324 2/20 0.33
NR1I2 O75469 1/20 0.32
PTPN1 P18031 1/20 0.32
ACP3 P15309 1/20 0.32
HCRTR2 O43614 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MLYCD O95822 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
SCHEMBL776500 0.74 PTPN5 (0.38) PTPN5FDPSPTPN1ACP3
SCHEMBL14747871 0.73 NPC1 (0.44) KMT2AMEN1ACP3RAB9A
SCHEMBL779751 0.73 FDPS (0.37) PTPN5PTPN2FDPSPTPN1ACP3
SCHEMBL27628134 0.72 PTGDR2 (0.41) PTPN5PTPN2KMT2AMEN1PTPN1
SCHEMBL777166 0.72 FDPS (0.43) ALDH1A1PTPN5KMT2AMEN1FDPS
SCHEMBL777941 0.72 PTPN5 (0.40) ALDH1A1PTPN5KMT2AMEN1FDPS
SCHEMBL777536 0.72 DHODH (0.36) ALDH1A1KDM4EPTPN5PTPN2KMT2A
SCHEMBL778912 0.71 TSHR (0.44) ALDH1A1PTPN5KMT2AFDPSPTPN1
SCHEMBL781245 0.71 PGK1 (0.35) ALDH1A1PTPN5FDPSPTPN1
SCHEMBL780831 0.69 CA2 (0.46) ALDH1A1KMT2AMEN1GAARAB9A

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 7 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-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 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