SCHEMBL28868019

SCHEMBL28868019

C=CC(C)(C)C(=O)OCC.C=CCC(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
PKM P14618 3/20 0.36
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.35
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
MMP8 P22894 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 2/20 0.32
HTT P42858 1/20 0.31
TSHR P16473 2/20 0.31
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR2A P28223 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL79003 0.87 PKM (0.43) GAAMGAMSIMGAM2PKM
SCHEMBL23027 0.83
SCHEMBL5586924 0.83 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL2445455 0.81
Ammonia Solution, Strong SCHEMBL27880728 0.81
Ethylene SCHEMBL6311174 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Water SCHEMBL28124941 0.79 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Bicarbonate SCHEMBL27700582 0.79 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL777025 0.78
Acetic Acid SCHEMBL28107594 0.77 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1

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
CN-115260356-A Method for preparing olefin-unsaturated carboxylic ester copolymer, olefin-unsaturated carboxylic ester copolymer and application 中国石油化工股份有限公司 2022-11-01 CN disclosed
CN-115246902-A Method for preparing copolymer, copolymer and application 中国石油化工股份有限公司 2022-10-28 CN disclosed