Malonic Acid

Malonic Acid

SCHEMBL28835566

O=C([O-])CC(=O)O.OB(O)O.[Li+]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Malonic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA4 P22748 4/20 0.50
LDHA P00338 1/20 0.44
SRR Q9GZT4 1/20 0.44
CASP1 P29466 1/20 0.32
LMNA P02545 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30
SUCNR1 Q9BXA5 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
Malonic Acid SCHEMBL29811216 0.97 LDHA (0.50) CA4LDHASRRCASP1
Malonic Acid SCHEMBL23581218 0.95 CA4 (0.45) CA4LDHASRREGLN1
Malonic Acid SCHEMBL106382 0.91
Malonic Acid SCHEMBL28563570 0.89 CA4 (0.45) CA4LDHASRRCASP1
Malonic Acid SCHEMBL106340 0.84
Malonic Acid SCHEMBL31665936 0.84 CA4 (0.60) CA4LDHASRRCASP1LMNA
Malonic Acid SCHEMBL31665937 0.84 CA4 (0.60) CA4LDHASRRCASP1LMNA
Malonic Acid SCHEMBL107187 0.84
Malonic Acid SCHEMBL15473528 0.82 CA4 (0.59) CA4LDHASRRCASP1
Malonic Acid SCHEMBL10391172 0.81 LDHA (0.60) CA4LDHASRRCASP1LMNA

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
CN-114989206-B Preparation method of lithium dimalonate borate 江苏国泰超威新材料有限公司 2022-11-22 CN disclosed
CN-114989206-A Preparation method of lithium dimalonate borate 江苏国泰超威新材料有限公司 2022-09-02 CN disclosed