Malonic Acid

Malonic Acid

SCHEMBL9761064

CN(CC(O)CO)C(=O)c1c(I)c(N)c(I)c(C(=O)NCCO)c1I.CN(CC(O)CO)C(=O)c1c(I)c(N)c(I)c(C(=O)NCCO)c1I.O=C(O)CC(=O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42

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 SCHEMBL9760918 0.90 LMNA (0.62) LMNACYP2C19HIF1A
Malonic Acid SCHEMBL11132766 0.90 LMNA (0.48) LMNACYP2C19HIF1A
Malonic Acid SCHEMBL9526080 0.88 LMNA (0.55) LMNACYP2C19HIF1A
SCHEMBL1389273 0.85 LMNA (0.67) LMNACYP2C19HIF1A
SCHEMBL681515 0.83 LMNA (0.50) LMNACYP2C19HIF1A
Malonic Acid SCHEMBL9760605 0.83 LMNA (0.48) LMNACYP2C19HIF1A
Malonic Acid SCHEMBL9761104 0.83 LMNA (0.51) LMNACYP2C19HIF1A
Malonic Acid SCHEMBL11131920 0.81 LMNA (0.50) LMNACYP2C19HIF1A
Adipic Acid SCHEMBL11497321 0.80 LMNA (0.44) LMNACYP2C19HIF1A
SCHEMBL9843094 0.80 LMNA (0.46) LMNACYP2C19HIF1A

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-5073362-A DICARBOXYLIC ACID-BIS(3,5-DICARBAMOYL-2,4,6-TRIIODOANILIDES) AND X-RAY CONTRAST MEDIA CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1991-12-17 US disclosed