SCHEMBL777082

SCHEMBL777082

CCOS(=O)OCCc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.43
AOC3 Q16853 1/20 0.40
ATM Q13315 1/20 0.38
KMT2A Q03164 3/20 0.37
MAOB P27338 2/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
IDO1 P14902 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
ALOX5 P09917 1/20 0.36
MPO P05164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 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
SCHEMBL27769885 0.92 TAAR1 (0.50) TAAR1AOC3KMT2AMAOBPARP15
SCHEMBL27769886 0.78 TAAR1 (0.47) TAAR1AOC3MAOBPARP15PARP14
SCHEMBL776831 0.73 IDO1 (0.55) TAAR1MAOBPARP15PARP14PARP10
SCHEMBL778144 0.71 L3MBTL1 (0.50) KMT2AALDH1A1KDM4EPOLBMEN1
SCHEMBL8235305 0.71 TAAR1 (0.56) TAAR1AOC3KMT2AMAOBIDO1
SCHEMBL779564 0.71 TAAR1 (0.43) TAAR1AOC3ATMKMT2AMAOB
SCHEMBL28694560 0.70 TAAR1 (0.60) TAAR1AOC3MAOBPARP15PARP14
SCHEMBL780406 0.69 TAAR1 (0.44) TAAR1AOC3KMT2AMAOBIDO1
SCHEMBL30866618 0.68 TAAR1 (0.62) TAAR1AOC3KMT2AMAOBIDO1
SCHEMBL172266 0.68 TAAR1 (0.62) TAAR1AOC3KMT2AMAOBIDO1

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