Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2634895

CN(C)CCOCCO.N

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 3/20 0.43
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRNA4 P43681 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
ADRB2 P07550 1/20 0.38

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
SCHEMBL25781 0.97
SCHEMBL232568 0.95 MEN1 (0.58) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL29378937 0.95 MEN1 (0.58) TSHRMAPK1MEN1KMT2AMAPT
Ethylene Glycol SCHEMBL12004364 0.95 TSHR (0.53) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL10077334 0.95 MEN1 (0.58) TSHRMAPK1MEN1KMT2AMAPT
Dimethylaminoethanol SCHEMBL16991084 0.92 MAPT (0.60) TSHRMAPK1MEN1KMT2AMAPT
Ethylene Glycol SCHEMBL3117974 0.89 MAPT (0.53) TSHRMAPK1MEN1KMT2AMAPT
Di(Hydroxyethyl)Ether SCHEMBL16685272 0.86 MAPT (0.67) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL23931420 0.86 TSHR (0.43) TSHRMAPK1MEN1KMT2AMAPT
Ammonia Solution, Strong SCHEMBL10349483 0.86 CA12 (0.50) TSHRMAPK1MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438039-B1 A METHOD FOR SEPARATING N,N-DIALKYLBISAMINOALKYLETHER FROM MIXTURES COMPRISING N,N-DIALKYLBISAMINOALKYLETHER AND AT LEAST ONE OF N,N,N'-TRIALKYLBISAMINOALKYLETHER AND N,N,N',N'-TETRAALKYLBISAMINOALKYLETHER HUNTSMAN CORP HUNGARY ZRT (HU) 2013-07-31 EP disclosed
EP-2438039-A1 A METHOD FOR SEPARATING N,N-DIALKYLBISAMINOALKYLETHER FROM MIXTURES COMPRISING N,N-DIALKYLBISAMINOALKYLETHER AND AT LEAST ONE OF N,N,N'-TRIALKYLBISAMINOALKYLETHER AND N,N,N',N'-TETRAALKYLBISAMINOALKYLETHER Huntsman Corporation Hungary ZRt. (HU) 2012-04-11 EP disclosed
WO-2010139520-A1 A Method for Separating N,N-Dialkylbisaminoalkylether from Mixtures Comprising N,N-Dialkylbisaminoalkylether and at least one of N,N,N'-Trialkylbisaminoalkylether and N,N,N',N'-Tetraalkylbisaminoalkylether HUNTSMAN CORPORATION HUNGARY ZRT. (HU) 2010-12-09 WO disclosed