SCHEMBL777835

SCHEMBL777835

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
FDPS P14324 2/20 0.31
KCNN4 O15554 2/20 0.31
HTT P42858 1/20 0.31
ACP3 P15309 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RIPK1 Q13546 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL778562 0.78 HDAC3 (0.33) ALDH1A1TSHRFDPSKCNN4RIPK1
SCHEMBL779296 0.77 TSHR (0.35) ALDH1A1TSHRKCNN4HTTMEN1
SCHEMBL776691 0.75 FDPS (0.37) ALDH1A1FDPSKCNN4HTTHDAC3
SCHEMBL781421 0.73 PTPN1 (0.35) ALDH1A1TSHRKCNN4HTTKMT2A
SCHEMBL777069 0.70 PTPN1 (0.42) ALDH1A1KCNN4HDAC3HDAC1HDAC2
SCHEMBL777703 0.69 KCNN4 (0.39) TSHRKCNN4HDAC3HDAC1HDAC2
SCHEMBL781360 0.69 KCNN4 (0.44) ALDH1A1KCNN4
SCHEMBL778138 0.68 KCNN4 (0.38) TSHRKCNN4ACP3HDAC3HDAC1
SCHEMBL11758540 0.68 ACP3 (0.46) ALDH1A1TSHRFDPSACP3MEN1
SCHEMBL11499398 0.68 PTPN5 (0.40) ALDH1A1TSHRHTTACP3KMT2A

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