SCHEMBL1011058

SCHEMBL1011058

CC(=O)C(O)CC(=O)CO

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
OR51E2 Q9H255 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL17933644 1.00 ALDH1A1 (0.32) ALDH1A1TDP1OR51E2SMN1; SMN2
SCHEMBL7164618 0.80
SCHEMBL1445499 0.79 TDP1 (0.45) ALDH1A1TDP1SMN1; SMN2
SCHEMBL11789195 0.77 KDM4E (0.41) ALDH1A1TDP1
SCHEMBL18902787 0.76
SCHEMBL28231517 0.76 CYP2C9 (0.37) OR51E2SMN1; SMN2
SCHEMBL20511811 0.75 TET2 (0.36)
Dihydroxyacetone SCHEMBL167719 0.75 TDP1 (0.30) ALDH1A1TDP1OR51E2
SCHEMBL5270053 0.75
SCHEMBL13356574 0.75

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
CN-110511129-A A kind of method that organic amine salt catalyzes and synthesizes 3,4- dihydroxy -2,5- acetyl butyryl XIAMEN OAMIC BIOTECH CO LTD 2019-11-29 CN disclosed
US-20110262980-A1 MICRO-ORGANISMS FOR THE PRODUCTION OF ACETOL OBTAINED BY A COMBINATION OF EVOLUTION AND RATIONAL DESIGN METABOLIC EXPLORER (FR) 2011-10-27 US disclosed
US-20110201070-A1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 1,2-PROPANEDIOL AND ACETOL METABOLIC EXPLORER (FR) 2011-08-18 US disclosed
WO-2011012693-A1 MUTANT METHYLGLYOXAL SYNTHASE (MGS) FOR THE PRODUCTION OF A BIOCHEMICAL BY FERMENTATION METABOLIC EXPLORER (FR) 2011-02-03 WO disclosed
WO-2011012697-A2 MUTANT YQHD ENZYME FOR THE PRODUCTION OF A BIOCHEMICAL BY FERMENTATION METABOLIC EXPLORER (FR) 2011-02-03 WO disclosed
US-20110014666-A1 POLYPEPTIDE HAVING GLYOXALASE III ACTIVITY, POLYNUCLEOTIDE ENCODING THE SAME AND USES THEREOF METABOLIC EXPLORER (FR) 2011-01-20 US disclosed
EP-2052031-B1 POLY (ARYLENE ETHER) COMPOSITION, METHOD, AND ARTICLE SABIC INNOVATIVE PLASTICS IP (NL) 2011-01-05 EP disclosed