Ethane

Ethane

SCHEMBL16673402

CC.COc1ccccc1OC(=O)c1ccccc1C(C)(C)C

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.45
HPGD P15428 3/20 0.44
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
Ethane SCHEMBL16673616 0.84 POLB (0.50) MAPTNPSR1ESR1ESR2KMT2A
Ethane SCHEMBL16673282 0.84 MAPT (0.44) MAPTNPSR1KMT2APOLBALDH1A1
SCHEMBL16673207 0.84 MAPT (0.48) MAPTNPSR1ESR1ESR2KMT2A
SCHEMBL31321657 0.81 ESR1 (0.66) MAPTNPSR1ESR1ESR2KMT2A
SCHEMBL29448528 0.78 MAPT (0.44) MAPTNPSR1POLBALDH1A1ATM
SCHEMBL1788233 0.78 TSHR (0.57) MAPTKMT2APOLBALDH1A1ATM
SCHEMBL14976 0.78 MAPT (0.44) MAPTNPSR1POLBALDH1A1ATM
SCHEMBL1789704 0.77 HSD17B10 (0.58) MAPTNPSR1KMT2APOLBALDH1A1
SCHEMBL7039888 0.77 ALDH1A1 (0.67) MAPTESR1ESR2KMT2AMEN1
Hydrogen Peroxide SCHEMBL8974942 0.76 TDP1 (0.46) MAPTNPSR1ESR1POLBALDH1A1

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
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed