SCHEMBL778562

SCHEMBL778562

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FDPS P14324 2/20 0.33
KCNN4 O15554 4/20 0.32
PTPN1 P18031 1/20 0.31
RIPK1 Q13546 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL777835 0.78 ALDH1A1 (0.32) HDAC3HDAC1HDAC2FDPSKCNN4
SCHEMBL776691 0.77 FDPS (0.37) HDAC3HDAC1HDAC2HDAC6FDPS
SCHEMBL777703 0.74 KCNN4 (0.39) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL778138 0.73 KCNN4 (0.38) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL777069 0.72 PTPN1 (0.42) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL779296 0.71 TSHR (0.35) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL781360 0.70 KCNN4 (0.44) KCNN4PTPN1KDM4EALDH1A1
SCHEMBL777442 0.70 PTPN1 (0.38) KCNN4PTPN1ALOX15TSHR
SCHEMBL777506 0.68 CHRM2 (0.37) KDM4EALDH1A1
SCHEMBL779166 0.68 PTPN1 (0.41) 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