Malonic Acid

Malonic Acid

SCHEMBL5087236

CCCCOC(=O)CC(=O)O.CCCOC(=O)CC(=O)O.CCOC(=O)CC(=O)O.O=C(O)CC(=O)O

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
FAAH O00519 2/20 0.45
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
DGKA P23743 1/20 0.40
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 2/20 0.38
EPHX1 P07099 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL217404 0.89 ALDH1A1 (0.54) FAAHNAAAALDH1A1ATMHCAR2
SCHEMBL28059337 0.87 ALDH1A1 (0.52) FAAHNAAAALDH1A1ATMHCAR2
Hydrochloric Acid SCHEMBL10895277 0.87 ALDH1A1 (0.52) FAAHNAAAALDH1A1ATMHCAR2
Rubidium SCHEMBL3200922 0.87 ALDH1A1 (0.52) FAAHNAAAALDH1A1ATMHCAR2
Ammonia Solution, Strong SCHEMBL3204230 0.87 ALDH1A1 (0.52) FAAHNAAAALDH1A1ATMHCAR2
SCHEMBL27693150 0.87 ALDH1A1 (0.52) FAAHNAAAALDH1A1ATMHCAR2
SCHEMBL27407560 0.87 ALDH1A1 (0.52) FAAHNAAAALDH1A1ATMHCAR2
SCHEMBL3187651 0.87 ALDH1A1 (0.52) FAAHNAAAALDH1A1ATMHCAR2
Butane SCHEMBL455717 0.87 ALDH1A1 (0.52) FAAHNAAAALDH1A1ATMHCAR2
SCHEMBL3200912 0.87 ALDH1A1 (0.52) FAAHNAAAALDH1A1ATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008150487-A2 SYNTHESIS OF HALF ESTERS TEXAS TECH UNIVERSITY (US) 2008-12-11 WO disclosed