Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL8650330

CSC(CCO)C(=O)O.N

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.37
TBXAS1 P24557 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
FOLH1 Q04609 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31

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
SCHEMBL11147429 1.00
SCHEMBL2554935 0.80
SCHEMBL8927813 0.79
SCHEMBL2372083 0.78 RNPEP (0.56) RNPEPFOLH1
SCHEMBL1118774 0.78
SCHEMBL874009 0.76 CA2 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL18786585 0.76 CA2 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL259989 0.74
SCHEMBL14693794 0.74
SCHEMBL10154406 0.74

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
CN-1077599-C Enzymatic Hydrolysis of 4-Methylthiobutyronitrile RHONE POULENC NUTRITION ANIMAL (FR) 2002-01-09 CN disclosed
US-5814497-A OBTAINING A RACEMIC PRODUCT, E.G. 2-HYDROXY DERIVATIVE FOR PRODUCING METHIONINE; BY-PRODUCT INHIBITION RHONE-POULENC NUTRITION ANIMALE (FR) 1998-09-29 US disclosed
CN-1158640-A Enzymatic Hydrolysis of 4-Methylthiobutyronitrile RHONE POULENC NUTRITION ANIMAL (FR) 1997-09-03 CN disclosed