Malonic Acid

Malonic Acid

SCHEMBL29009140

CC(C)(C)c1cccc(I)c1C(C)(C)C.O=C(O)CC(=O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.40
CA2 P00918 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL1285882 0.84 CA2 (0.46) CA2NPSR1ALDH1A1GABRA1GABRB2
SCHEMBL29688753 0.84 CA2 (0.46) CA2NPSR1ALDH1A1GABRA1GABRB2
SCHEMBL6544073 0.83 CA2 (0.41) CA2NPSR1ALDH1A1GABRA1GABRB2
Dichloroacetic Acid SCHEMBL6037446 0.82 CA2 (0.37) RBP4CA2NPSR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5073192 0.82 CA2 (0.44) CA2NPSR1ALDH1A1GABRA1GABRB2
Trifluoromethanesulfonic Acid SCHEMBL1286190 0.75 CA2 (0.37) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL5069666 0.74 CA2 (0.36) CA2NPSR1ALDH1A1GAAGABRA1
Diethyl Hydrogen Phosphate SCHEMBL5069693 0.74 NPSR1 (0.35) CA2NPSR1ALDH1A1KDM4EGAA
Methanesulfonic Acid Methyl Ester SCHEMBL5073212 0.73 CA2 (0.34) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL700593 0.73 RBP4 (0.44) RBP4NPSR1ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178154-B Preparation method of fullerene ester derivative 湖北大学 2025-04-11 CN claimed
CN-116178154-A Preparation method of fullerene ester derivative 湖北大学 2023-05-30 CN claimed
CN-116178154-B Preparation method of fullerene ester derivative 湖北大学 2025-04-11 CN disclosed
CN-116178154-A Preparation method of fullerene ester derivative 湖北大学 2023-05-30 CN disclosed