Triethyl Citrate

Triethyl Citrate

SCHEMBL9837388

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

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MMP8 P22894 1/20 0.37
TRPA1 O75762 1/20 0.36
HSD11B1 P28845 1/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SOAT1 P35610 1/20 0.34
HTT P42858 1/20 0.34
PIN1 Q13526 1/20 0.33
RECQL P46063 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MEN1 O00255 1/20 0.33

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
Triethyl Citrate SCHEMBL901127 0.89 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL23465 0.89 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL5162146 0.87 PKM (0.43) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL14856311 0.87 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL29035980 0.87 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL6236671 0.87 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL28041956 0.87 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL30812452 0.85 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL73473 0.85 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL17898236 0.85 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1

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-0212135-B1 REMOISTENABLE HOT MELT ADHESIVES National Starch and Chemical Investment Holding Corporation (US) 1991-09-04 EP claimed
EP-0212135-A2 Remoistenable hot melt adhesives National Starch and Chemical Investment Holding Corporation (US) 1987-03-04 EP claimed
US-4623688-A NON-BLOCK CHARACTERISTICS, POLYOXAZOLINES NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1986-11-18 US claimed