Malonic Acid

Malonic Acid

SCHEMBL27693147

CC[N+](C)(C)C.O=C(O)CC(=O)O

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
SRR Q9GZT4 1/20 0.56
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
APEX1 P27695 1/20 0.48
FFAR3 O14843 2/20 0.44
MAPT P10636 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 2/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33

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
Bicarbonate SCHEMBL27990882 0.83 TSHR (0.50) TSHRALDH1A1LMNAAPEX1FFAR3
Malonic Acid SCHEMBL27693132 0.83 LDHA (0.69) LDHASRRTSHRALDH1A1LMNA
Tetrylammonium SCHEMBL4772087 0.81 LDHA (0.56) LDHASRRTSHRALDH1A1LMNA
Malonic Acid SCHEMBL27693136 0.80 LDHA (0.47) LDHASRRTSHRALDH1A1LMNA
Malonic Acid SCHEMBL28993583 0.79 LDHA (0.75) LDHASRRTSHRALDH1A1LMNA
Malonic Acid SCHEMBL1274707 0.79
Tetramethylammonium Ion SCHEMBL28621139 0.78 FFAR3 (0.47) TSHRALDH1A1LMNAAPEX1FFAR3
Bicarbonate SCHEMBL9003745 0.78 TSHR (0.45) TSHRALDH1A1LMNAAPEX1FFAR3
Malonic Acid SCHEMBL2469276 0.76 LDHA (0.69) LDHASRRTSHRALDH1A1FFAR3
Malonic Acid SCHEMBL7532132 0.76 LDHA (0.69) LDHASRRTSHRALDH1A1LMNA

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
CN-101104149-A Stabilized carbanions as trimerization catalysts AIR PROD & CHEM (US) 2008-01-16 CN claimed
CN-101104149-B Stabilized carbanions as trimerization catalysts AIR PROD & CHEM 2012-03-28 CN disclosed
CN-101104149-A Stabilized carbanions as trimerization catalysts AIR PROD & CHEM (US) 2008-01-16 CN disclosed