SCHEMBL2468536

SCHEMBL2468536

CCOC(=O)CC(O)(CC(=O)O)C(=O)OCC.CCOC(=O)CC(O)(CC(=O)O)C(=O)OCC.[Zr]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TRPA1 O75762 1/20 0.38
HSD11B1 P28845 1/20 0.37
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
SOAT1 P35610 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HTT P42858 1/20 0.35
PIN1 Q13526 1/20 0.34

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
SCHEMBL73473 0.98 ALDH1A1 (0.41) ALDH1A1GAAMGAMSIMGAM2
Triethyl Citrate SCHEMBL4250304 0.93 ALDH1A1 (0.52) ALDH1A1GAAMGAMSIMGAM2
Triethyl Citrate SCHEMBL23465 0.90 GAA (0.48) ALDH1A1GAAMGAMSIMGAM2
Triethyl Citrate SCHEMBL901127 0.90 GAA (0.48) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL2557186 0.90 ALDH1A1 (0.48) ALDH1A1GAAMGAMSIMGAM2
Triethyl Citrate SCHEMBL27205407 0.89 GAA (0.40) ALDH1A1GAAMGAMSIMGAM2
Triethyl Citrate SCHEMBL5162146 0.89 PKM (0.43) ALDH1A1GAAMGAMSIMGAM2
Triethyl Citrate SCHEMBL29035980 0.88 GAA (0.46) ALDH1A1GAAMGAMSIMGAM2
Triethyl Citrate SCHEMBL6236671 0.88 GAA (0.46) ALDH1A1GAAMGAMSIMGAM2
Triethyl Citrate SCHEMBL28041956 0.88 GAA (0.46) ALDH1A1GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550235-B1 METHOD FOR MAKING HIGHLY POROUS, STABLE ALUMINIUM OXIDE WITH A CONTROLLED PORE STRUCTURE UNIV BRIGHAM YOUNG (US) 2019-07-03 EP disclosed
US-9334173-B2 Method for making highly porous, stable metal oxides with a controlled pore structure BRIGHAM YOUNG UNIVERSITY (US) 2016-05-10 US disclosed
US-9079164-B2 Single reaction synthesis of texturized catalysts BRIGHAM YOUNG UNIVERSITY (US) 2015-07-14 US disclosed
US-20130267411-A1 SINGLE REACTION SYNTHESIS OF TEXTURIZED CATALYSTS BRIGHAM YOUNG UNIVERSITY, (US) 2013-10-10 US disclosed
EP-2550235-A2 METHOD FOR MAKING HIGHLY POROUS, STABLE METAL OXIDE WITH A CONTROLLED PORE STRUCTURE Brigham Young University (US) 2013-01-30 EP disclosed
US-20110257008-A1 METHOD FOR MAKING HIGHLY POROUS, STABLE METAL OXIDES WITH A CONTROLLED PORE STRUCTURE BRIGHAM YOUNG UNIVERSITY (US) 2011-10-20 US disclosed
WO-2011119638-A2 METHOD FOR MAKING HIGHLY POROUS, STABLE METAL OXIDE WITH A CONTROLLED PORE STRUCTURE BRIGHAM YOUNG UNIVERSITY (US) 2011-09-29 WO disclosed