SCHEMBL779787

SCHEMBL779787

CCP(=O)(O)CCc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.49
AOC3 Q16853 1/20 0.42
CETP P11597 1/20 0.41
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
TSHR P16473 2/20 0.40
RIPK1 Q13546 2/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.38
MPO P05164 1/20 0.38
DAO P14920 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL781625 0.78 CETP (0.54) TAAR1CETPGABBR2GABBR1TSHR
SCHEMBL780405 0.76 TAAR1 (0.42) TAAR1AOC3RIPK1MAOBPOLB
SCHEMBL2488080 0.74 TSHR (0.69) CETPTSHRPOLBALDH1A1CYP2D6
SCHEMBL2507365 0.73 TSHR (0.67) CETPTSHRPOLBALDH1A1CYP2D6
SCHEMBL20575202 0.73 TSHR (0.67) CETPTSHRPOLBALDH1A1CYP2D6
SCHEMBL779441 0.71 TAAR1 (0.44) TAAR1AOC3RIPK1MAOBPOLB
SCHEMBL780406 0.71 TAAR1 (0.44) TAAR1AOC3TSHRRIPK1MAOB
SCHEMBL776837 0.71 CETP (0.49) TAAR1CETPTSHRRIPK1MEN1
SCHEMBL30866618 0.71 TAAR1 (0.62) TAAR1AOC3RIPK1MAOBMPO
SCHEMBL172266 0.71 TAAR1 (0.62) TAAR1AOC3RIPK1MAOBMPO

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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