Malonic Acid

Malonic Acid

SCHEMBL5874129

C1CNCCN1.C1CNCCN1.O=C(O)CC(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Malonic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.60
SRR Q9GZT4 1/20 0.60
HIF1A Q16665 1/20 0.40
MAPT P10636 1/20 0.40
PDE4A P27815 1/20 0.40
KDR P35968 1/20 0.40
TSHR P16473 4/20 0.39
GABRA5 P31644 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA1 P14867 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRE P78334 1/20 0.39
PMP22 Q01453 1/20 0.39

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 SCHEMBL5874133 1.00 LDHA (0.60) LDHASRRHIF1AMAPTPDE4A
Malonic Acid SCHEMBL7046147 0.97 LDHA (0.64) LDHASRRHIF1AMAPTPDE4A
Malonic Acid SCHEMBL6671875 0.87 LDHA (0.60) LDHASRRMAPTTSHRGABRA5
Malonic Acid SCHEMBL2950460 0.85 LDHA (0.50) LDHASRRTSHRGABRA5GABRB2
Malonic Acid SCHEMBL5874600 0.85 LDHA (0.50) LDHASRRTSHRGABRA5GABRB2
Malonic Acid SCHEMBL17371700 0.82
Malonic Acid SCHEMBL338744 0.82
Succinic Acid SCHEMBL6945727 0.80 LMNA (0.60) HIF1AMAPTPDE4AKDRTSHR
Piperazine SCHEMBL8005898 0.80 HIF1A (0.40) LDHASRRHIF1AMAPTPDE4A
Succinic Acid SCHEMBL5874334 0.80 LMNA (0.60) HIF1AMAPTPDE4AKDRTSHR

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
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed