Malonic Acid

Malonic Acid

SCHEMBL9843229

O=C(O)CC(=O)O.OCCNc1c(I)c(C(CO)CO)c(I)c(C(CO)CO)c1I.OCCNc1c(I)c(C(CO)CO)c(I)c(C(CO)CO)c1I

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
MAPK1 P28482 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
Malonic Acid SCHEMBL11135797 0.70 LMNA (0.49)
Malonic Acid SCHEMBL11132631 0.69 LMNA (0.40)
Malonic Acid SCHEMBL11131920 0.67 LMNA (0.50) TSHRMAPK1
Malonic Acid SCHEMBL5875293 0.58 LDHA (0.56) TSHR
Malonic Acid SCHEMBL7738127 0.57 LDHA (0.75) TSHR
Malonic Acid SCHEMBL27338630 0.57 LDHA (0.75) TSHR
Malonic Acid SCHEMBL18006516 0.56 GABBR2 (0.52) MAPK1
Malonic Acid SCHEMBL1332587 0.54
Malonic Acid SCHEMBL22124621 0.54 LMNA (0.56)
Malonic Acid SCHEMBL4421965 0.54 LDHA (0.56) TSHR

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
US-5004835-A Substituted dicarboxylic acid-bis(3,5-dicarbamoyl-2,4,6-triiodoanilides), process for their production as well as X-ray contrast media containing them SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-02 US disclosed