SCHEMBL775494

SCHEMBL775494

CCOS(=O)(=O)OC(=O)c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ELANE P08246 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL776632 0.86 NPC1 (0.47) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL779011 0.81 NPC1 (0.44) TSHRALDH1A1KMT2AMEN1RAB9A
SCHEMBL28038871 0.78 NPC1 (0.46) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL28698767 0.78 MAPT (0.47) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL29399907 0.78 NPC1 (0.46) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL775677 0.77 CYP1A2 (0.48) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL29535471 0.77 TSHR (0.80) TSHRALDH1A1HSD17B10KMT2AMEN1
SCHEMBL1569293 0.77 TSHR (0.80) TSHRALDH1A1HSD17B10KMT2AMEN1
SCHEMBL10500574 0.76 NPC1 (0.45) TSHRKMT2AMEN1RAB9ANPC1
Sulfuric Acid Diethyl Ester SCHEMBL11312718 0.76 CA1 (0.43) TSHRALDH1A1HSD17B10KMT2AMEN1

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 4 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