Malonic Acid

Malonic Acid

SCHEMBL6671875

C1CNC1.O=C(O)CC(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.60
SRR Q9GZT4 1/20 0.60
SLC6A1 P30531 4/20 0.39
SLC6A11 P48066 3/20 0.39
SLC6A13 Q9NSD5 3/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GABRA5 P31644 3/20 0.37
GABRB2 P47870 3/20 0.37
SLC6A12 P48065 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRR1 P24046 1/20 0.37
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CXCR4 P61073 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33

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 SCHEMBL2950460 0.91 LDHA (0.50) LDHASRRSLC6A1SLC6A11SLC6A13
Malonic Acid SCHEMBL5874600 0.91 LDHA (0.50) LDHASRRSLC6A1SLC6A11SLC6A13
Malonic Acid SCHEMBL7046147 0.90 LDHA (0.64) LDHASRRSLC6A1SLC6A11SLC6A13
Malonic Acid SCHEMBL5874133 0.87 LDHA (0.60) LDHASRRSLC6A1SLC6A11SLC6A13
Malonic Acid SCHEMBL5874129 0.87 LDHA (0.60) LDHASRRSLC6A1SLC6A11SLC6A13
Malonic Acid SCHEMBL1727482 0.82 LDHA (0.75) LDHASRRTSHRLMNASMN1; SMN2
Malonic Acid SCHEMBL28010899 0.82 LDHA (0.75) LDHASRRTSHRLMNASMN1; SMN2
Malonic Acid SCHEMBL28318741 0.82 LDHA (0.75) LDHASRRTSHRLMNASMN1; SMN2
Malonic Acid SCHEMBL28796740 0.82 LDHA (0.75) LDHASRRTSHRLMNASMN1; SMN2
Malonic Acid SCHEMBL17371700 0.82

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
WO-2004035538-A1 PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID MERCK & CO., INC. (US) 2004-04-29 WO disclosed