Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL27645907

COC(=O)CC(=O)OCO.N

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.48
GAA P10253 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
TSHR P16473 4/20 0.46
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 2/20 0.34
TET2 Q6N021 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
LGALS8 O00214 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL13586840 0.97 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL3415360 0.86 MGAM (0.53) MGAMGAASIMGAM2TSHR
SCHEMBL31588662 0.83 MGAM (0.50) MGAMGAASIMGAM2TSHR
Butane SCHEMBL3949759 0.81 MGAM (0.57) MGAMGAASIMGAM2TSHR
SCHEMBL129134 0.80 MGAM (0.55) MGAMGAASIMGAM2TSHR
SCHEMBL3441102 0.80 MGAM (0.69) MGAMGAASIMGAM2TSHR
SCHEMBL53913 0.80
SCHEMBL4401785 0.79 GAA (0.79) MGAMGAASIMGAM2TSHR
SCHEMBL31160510 0.79 TSHR (0.68) MGAMGAASIMGAM2TSHR
Ammonia Solution, Strong SCHEMBL11068532 0.79 GAA (0.79) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100366231-C Terpenoid fragrance components stabilized with malonates UNILEVER NV (NL) 2008-02-06 CN disclosed
CN-1787800-A Terpenoid fragrance components stabilized with malonic acid salts UNILEVER NV (NL) 2006-06-14 CN disclosed