Malonic Acid

Malonic Acid

SCHEMBL6670163

CC(=O)NCC(=O)CBr.O=C(O)CC(=O)O

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.39
SRR Q9GZT4 1/20 0.39
TSHR P16473 2/20 0.38
ADRA1A P35348 1/20 0.36
TRPA1 O75762 1/20 0.36
SOAT1 P35610 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
EGLN1 Q9GZT9 2/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CTH P32929 1/20 0.31
NFKB1 P19838 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
SCHEMBL889371 0.91
SCHEMBL13788528 0.81 ADRA1A (0.41) LDHASRRTSHRADRA1ASOAT1
SCHEMBL5597209 0.75 KDM4E (0.48) TSHRADRA1ASOAT1KDM4EMAPK1
Aceturic Acid SCHEMBL42918 0.73 CTH (0.52) LDHASRRTSHRADRA1AKDM4E
Aceturic Acid SCHEMBL5876 0.73
SCHEMBL9301791 0.73 PHF8 (0.56) TSHRADRA1ASOAT1KDM4EMAPK1
Aceturic Acid SCHEMBL10710298 0.71 CTH (0.50) LDHASRRTSHRADRA1AKDM4E
Aceturic Acid SCHEMBL2120015 0.71
Aceturic Acid SCHEMBL9438413 0.71
Aceturic Acid SCHEMBL31614105 0.71

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-1069118-B1 PROCESS FOR PRODUCING 4-THIAZOLYLMETHYL DERIVATIVE SHIONOGI & CO (JP) 2004-09-22 EP disclosed
US-6506903-B1 By reacting 4-methylthiazole with N-halosuccinimide in solvent in presence of 2,2-azobisisobutyronitrile; halogenation, catalysis SHIONOGI & CO., LTD. (JP) 2003-01-14 US disclosed
EP-1069118-A1 PROCESS FOR PRODUCING 4-THIAZOLYLMETHYL DERIVATIVE SHIONOGI & CO., LTD. (JP) 2001-01-17 EP disclosed