Malonic Acid

Malonic Acid

SCHEMBL9526080

CNc1c(I)c(C(=O)NCCO)c(I)c(C(=O)N(C)CC(O)CO)c1I.CNc1c(I)c(C(=O)NCCO)c(I)c(C(=O)N(C)CC(O)CO)c1I.O=C(O)CC(=O)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44

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 SCHEMBL9530109 0.90 LMNA (0.67) LMNACYP2C19HIF1A
Malonic Acid SCHEMBL11497518 0.90 LMNA (0.53) LMNACYP2C19HIF1A
Malonic Acid SCHEMBL9761064 0.88 LMNA (0.51) LMNACYP2C19HIF1A
Malonic Acid SCHEMBL11131920 0.84 LMNA (0.50) LMNACYP2C19HIF1A
SCHEMBL9527194 0.83 LMNA (0.66) LMNACYP2C19HIF1A
SCHEMBL9843237 0.82 LMNA (0.52) LMNACYP2C19HIF1A
SCHEMBL13885039 0.79 LMNA (0.69) LMNACYP2C19HIF1A
SCHEMBL9352741 0.78 LMNA (0.54) LMNACYP2C19HIF1A
Malonic Acid SCHEMBL9527869 0.78 LMNA (0.51) LMNACYP2C19HIF1A
Malonic Acid SCHEMBL9760918 0.78 LMNA (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308364-B1 Dicarboxylic acid-bis(3,5-dicarbamoyl-2-4-6-triiodanilides), process for their preparation and X-ray contrast agents containing them SCHERING AG (DE) 1993-11-10 EP claimed
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