SCHEMBL1043047

SCHEMBL1043047

CC(=O)OC(C)=O.CCC/C=C(\O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
EP300 Q09472 1/20 0.35
HCAR2 Q8TDS4 1/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
FFAR3 O14843 1/20 0.31
ALOX15 P16050 1/20 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
SCHEMBL127948 0.87
SCHEMBL124588 0.87
Methacrylic Acid SCHEMBL7700828 0.81 GRIK1 (0.39) TSHRGRIK1GRIK2EP300
SCHEMBL6048309 0.80 GRIK1 (0.41) ALDH1A1GRIK1GRIK2EP300FFAR3
SCHEMBL1648943 0.80 GRIK1 (0.36) GRIK1GRIK2EP300
SCHEMBL7601534 0.79 GRIK1 (0.38) ALDH1A1TSHRGRIK1GRIK2EP300
SCHEMBL7601525 0.79 GRIK1 (0.38) ALDH1A1TSHRGRIK1GRIK2EP300
SCHEMBL11650762 0.79 GRIK1 (0.38) ALDH1A1TSHRGRIK1GRIK2EP300
Phosphoric Acid SCHEMBL21408823 0.78 GRIK1 (0.40) ALDH1A1TSHRGRIK1GRIK2EP300
Acrylic Acid SCHEMBL9157484 0.77 LMNA (0.43) ALDH1A1TSHRGRIK1GRIK2EP300

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
EP-2268687-A1 AQUEOUS POLYMER COMPOSITIONS OBTAINED FROM EPOXIDIZED NATURAL OILS Lubrizol Advanced Materials, Inc. (US) 2011-01-05 EP disclosed
WO-2009105400-A1 AQUEOUS POLYMER COMPOSITIONS OBTAINED FROM EPOXIDIZED NATURAL OILS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2009-08-27 WO disclosed