Malonic Acid

Malonic Acid

SCHEMBL9760401

CC(=O)OCC(CNC(=O)c1c(I)c(N)c(I)c(C(=O)Cl)c1I)OC(C)=O.CC(=O)OCC(CNC(=O)c1c(I)c(N)c(I)c(C(=O)Cl)c1I)OC(C)=O.O=C(O)CC(=O)O

nearest known ligand 0.33

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ABCB1 P08183 1/20 0.32

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
SCHEMBL9009046 0.96 LMNA (0.35) LMNACYP2C19HIF1AABCB1
SCHEMBL9760950 0.92 ABCB1 (0.33) LMNACYP2C19HIF1AABCB1
SCHEMBL9761324 0.92 LMNA (0.32) LMNACYP2C19HIF1AABCB1
SCHEMBL1359798 0.90 LMNA (0.38) LMNACYP2C19HIF1AABCB1
SCHEMBL8063052 0.88 LMNA (0.36) LMNACYP2C19HIF1AABCB1
SCHEMBL9515975 0.88 ABCB1 (0.37) LMNACYP2C19HIF1AABCB1
Hydrochloric Acid SCHEMBL8857263 0.87 LMNA (0.35) LMNACYP2C19HIF1AABCB1
SCHEMBL28880448 0.87 LMNA (0.36) LMNACYP2C19HIF1AABCB1
SCHEMBL9526102 0.84 LMNA (0.37) LMNACYP2C19HIF1AABCB1
SCHEMBL8374103 0.84 LMNA (0.34) LMNACYP2C19HIF1AABCB1

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