SCHEMBL777083

SCHEMBL777083

CCS(=O)(O)(O)CCc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
AOC3 Q16853 1/20 0.42
RIPK1 Q13546 2/20 0.39
MAOB P27338 2/20 0.39
MPO P05164 2/20 0.38
DAO P14920 2/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 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
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL776832 0.74 TAAR1 (0.45) TAAR1RIPK1MAOBALDH1A1MEN1
SCHEMBL30866618 0.71 TAAR1 (0.62) TAAR1AOC3RIPK1MAOBMPO
SCHEMBL172266 0.71 TAAR1 (0.62) TAAR1AOC3RIPK1MAOBMPO
SCHEMBL778094 0.71 TAAR1 (0.42) TAAR1AOC3RIPK1MAOBALDH1A1
SCHEMBL138361 0.70
SCHEMBL29943841 0.70
SCHEMBL8526001 0.70 TAAR1 (0.75) TAAR1AOC3MAOBMPODAO
Ammonia Solution, Strong SCHEMBL6195354 0.69 TAAR1 (0.60) TAAR1AOC3RIPK1MAOBMPO
Ammonia Solution, Strong SCHEMBL329693 0.68 TAAR1 (0.52) TAAR1AOC3RIPK1ALDH1A1MEN1
Bicarbonate SCHEMBL28309385 0.67 ALDH1A1 (0.51) TAAR1RIPK1MAOBALDH1A1MEN1

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-20150056503-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-26 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