Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2558657

CCOC(=O)CC(O)C(=O)O.N

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 6/20 0.43
TRPA1 O75762 1/20 0.43
TET2 Q6N021 3/20 0.40
TSHR P16473 2/20 0.40
TET3 O43151 1/20 0.40
TET1 Q8NFU7 1/20 0.40
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
CYP1A2 P05177 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
SCHEMBL17132189 0.98 SMN1; SMN2 (0.48) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL17132190 0.98 SMN1; SMN2 (0.48) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL305092 0.98 SMN1; SMN2 (0.48) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL26073653 0.85 SMN1; SMN2 (0.38) SMN1; SMN2MGAMGAASIMGAM2
Malic Acid SCHEMBL29124821 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL8653303 0.82 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL891003 0.82 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4388130 0.82 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL122314 0.82 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL11314767 0.82 SMN1; SMN2 (0.58) SMN1; SMN2MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011128699-A2 NOVEL PROCESS GENERICS [UK] LIMITED (GB) 2011-10-20 WO disclosed