Malonic Acid

Malonic Acid

SCHEMBL9026618

CC(C)CC(=NO)C(N)=O.O=C(O)CC(=O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.35
▸ SRR Q9GZT4 1/20 0.35
▸ CACNA2D1 P54289 2/20 0.33
▸ CACNB3 P54284 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CACNA2D2 Q9NY47 1/20 0.33
▸ CA2 P00918 1/20 0.31
▸ ECE1 P42892 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL9166257 0.84 MGAM (0.40) ALDH1A1
SCHEMBL8862881 0.74 ALDH1A1 (0.42) ALDH1A1TDP1CA2
SCHEMBL8862880 0.74 ALDH1A1 (0.42) ALDH1A1TDP1CA2
SCHEMBL14403015 0.73 ALDH1A1 (0.40) CACNA2D1CACNB3CACNA1CALDH1A1TDP1
SCHEMBL11328029 0.70 ALDH1A1 (0.48) ALDH1A1TDP1CA2CYP2D6CYP2C19
SCHEMBL11328030 0.70 ALDH1A1 (0.48) ALDH1A1TDP1CA2CYP2D6CYP2C19
SCHEMBL11417640 0.69 ALDH1A1 (0.37) ALDH1A1TDP1CA2
SCHEMBL11417638 0.69 ALDH1A1 (0.37) ALDH1A1TDP1CA2
SCHEMBL9026605 0.68 FOLH1 (0.34) ALDH1A1TDP1CA2
SCHEMBL9026610 0.68 FOLH1 (0.34) ALDH1A1TDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 — — EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 — — US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 — — EP disclosed
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