SCHEMBL29625464

SCHEMBL29625464

C/C=C/C=C(\CC)C(=O)O.C/C=C/C=C/C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.44
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
LMNA P02545 4/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 6/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TTR P02766 1/20 0.31
DPP4 P27487 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
SCHEMBL28251620 0.83 HCAR2 (0.56) HCAR2LMNAMAPK1HTTMAPT
SCHEMBL345936 0.83 HCAR2 (0.56) HCAR2LMNAMAPK1HTTMAPT
SCHEMBL11792235 0.83 HCAR2 (0.56) HCAR2LMNAMAPK1HTTMAPT
SCHEMBL345935 0.83 HCAR2 (0.56) HCAR2LMNAMAPK1HTTMAPT
SCHEMBL7020452 0.81 HCAR2 (0.54) HCAR2LMNAMAPK1HTTMAPT
SCHEMBL38662185 0.81 HCAR2 (0.54) HCAR2LMNAMAPK1HTTMAPT
SCHEMBL330246 0.81 HCAR2 (0.54) HCAR2LMNAMAPK1HTTMAPT
SCHEMBL329729 0.81 HCAR2 (0.54) HCAR2LMNAMAPK1HTTMAPT
SCHEMBL8654856 0.81 HCAR2 (0.54) HCAR2LMNAMAPK1HTTMAPT
SCHEMBL28436688 0.81 HCAR2 (0.54) HCAR2LMNAMAPK1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736121-B Method for preparing ethyl sorbate by microwave esterification 广西金源生物化工实业有限公司 2023-08-29 CN disclosed
CN-114560770-B Method for preparing ethyl sorbate by catalysis of supported p-toluenesulfonic acid 广西金源生物化工实业有限公司 2023-02-17 CN disclosed
CN-114736121-A Method for preparing ethyl sorbate by microwave esterification 广西金源生物化工实业有限公司 2022-07-12 CN disclosed
CN-114560770-A Method for preparing ethyl sorbate by catalysis of supported p-toluenesulfonic acid 广西金源生物化工实业有限公司 2022-05-31 CN disclosed