SCHEMBL779296

SCHEMBL779296

C=CCC(C)(c1ccccc1F)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KCNN4 O15554 4/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
ESR2 Q92731 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN1 P18031 1/20 0.33
ALOX15 P16050 1/20 0.32
PTPN5 P54829 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 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
SCHEMBL781421 0.78 PTPN1 (0.35) TSHRALDH1A1KCNN4RAB9AHTT
SCHEMBL777835 0.77 ALDH1A1 (0.32) TSHRALDH1A1HDAC3HDAC1HDAC2
SCHEMBL777703 0.76 KCNN4 (0.39) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL779166 0.73 PTPN1 (0.41) TSHRALDH1A1HDAC3HDAC1HDAC2
SCHEMBL778138 0.72 KCNN4 (0.38) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL778562 0.71 HDAC3 (0.33) TSHRALDH1A1HDAC3HDAC1HDAC2
SCHEMBL777442 0.69 PTPN1 (0.38) TSHRKCNN4RAB9AKMT2AMEN1
SCHEMBL777638 0.68 PTPN1 (0.48) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL776691 0.67 FDPS (0.37) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL777579 0.66 KCNN4 (0.50) HDAC3HDAC1HDAC2HDAC6KCNN4

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