Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL28691891

CCOC(=O)CC(=O)OCC.Cc1ccccc1.O=C(O)CC(=O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
PPID Q08752 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
TOP2A P11388 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP8 P22894 1/20 0.42

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
Toluene SCHEMBL9479143 0.94 GAA (0.52) GAAMGAMSIMGAM2PPID
Acetoacetic Acid SCHEMBL9091733 0.88 GAA (0.45) GAAMGAMSIMGAM2PPID
Toluene SCHEMBL8882403 0.85 GAA (0.50) GAAMGAMSIMGAM2PPID
Malonic Acid Diethyl Ester SCHEMBL8399632 0.84 GAA (0.71) GAAMGAMSIMGAM2MEN1
Toluene SCHEMBL1452591 0.84 LMNA (0.58) GAAMEN1KMT2ATSHRSMN1; SMN2
Malonic Acid Diethyl Ester SCHEMBL18911581 0.84 GAA (0.79) GAAMGAMSIMGAM2MEN1
Toluene SCHEMBL1127533 0.84 LMNA (0.58) GAAMEN1KMT2ATSHRSMN1; SMN2
Toluene SCHEMBL28244172 0.84 LMNA (0.58) GAAMEN1KMT2ATSHRSMN1; SMN2
Malonic Acid Diethyl Ester SCHEMBL8406575 0.84 GAA (0.79) GAAMGAMSIMGAM2MEN1
Ethyl Propionate SCHEMBL27658259 0.82 MEN1 (0.52) GAAMGAMSIMGAM2PPID

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
CN-115135721-A Polycarbonate resin composition and molded article 出光兴产株式会社 2022-09-30 CN disclosed
CN-110461943-B Polycarbonate resin composition and molded article 出光兴产株式会社 2022-03-29 CN disclosed
CN-110461944-B Polycarbonate resin composition and molded article 出光兴产株式会社 2022-03-29 CN disclosed