SCHEMBL812437

SCHEMBL812437

COC(=O)C(CO)CC=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MME P08473 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MET P08581 1/20 0.31
TGFBR1 P36897 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL5124368 0.89 CA1 (0.43) CA1CA2MMEKMT2AMEN1
SCHEMBL12159703 0.83 CA1 (0.53) CA1CA2KMT2ATSHRSMN1; SMN2
SCHEMBL14012605 0.81
SCHEMBL2071539 0.81 CA1 (0.38) CA1CA2MMEKMT2AMEN1
SCHEMBL26113751 0.81 ALDH1A1 (0.37) KMT2AMEN1SMN1; SMN2MET
SCHEMBL489822 0.79 MME (0.45) CA1CA2MMESMN1; SMN2
SCHEMBL490027 0.79 CA1 (0.41) CA1CA2KMT2ASMN1; SMN2MET
SCHEMBL489820 0.79 MME (0.45) CA1CA2MMESMN1; SMN2
SCHEMBL490230 0.79 MME (0.45) CA1CA2MMESMN1; SMN2
SCHEMBL490175 0.79 CA1 (0.41) CA1CA2KMT2ASMN1; SMN2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910104-B Acetaldehyde removal from methyl acetate by distillation at elevated pressure CELANESE INT CORP (US) 2013-12-18 CN disclosed
US-8062482-B2 Acetaldehyde removal from a methyl acetate/methanol/acetaldehyde mixture by distillation is enhanced by conducting the distillation at high pressure and temperature; the purified methyl acetate/methanol mixture can be directly fed to a carbonylation unit to make acetic acid CELANESE INTERNATIONAL CORPORATION (US) 2011-11-22 US disclosed
CN-101910104-A Acetaldehyde removal from methyl acetate by distillation at elevated pressure CELANESE INT CORP (US) 2010-12-08 CN disclosed
EP-2217556-A1 ACETALDEHYDE REMOVAL FROM METHYL ACETATE BY DISTILLATION AT ELEVATED PRESSURE Celanese International Corporation (US) 2010-08-18 EP disclosed
WO-2009058182-A1 ACETALDEHYDE REMOVAL FROM METHYL ACETATE BY DISTILLATION AT ELEVATED PRESSURE CELANESE INTERNATIONAL CORPORATION (US) 2009-05-07 WO disclosed
US-20090107833-A1 Acetaldehyde removal from methyl acetate by distillation at elevated pressure CELANESE INTERNATIONAL CORPORATION 2009-04-30 US disclosed