Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL28070102

C=C(CCCCCCCCCCCCC)C(=O)OC.C=CC(=O)OC

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
HPGD P15428 1/20 0.43
FAAH O00519 2/20 0.42
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
THRB P10828 2/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 2/20 0.38
THRA P10827 1/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37

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
Acrylic Acid Methyl Ester SCHEMBL28082249 1.00 TSHR (0.43) TSHRHPGDFAAHPOLBPOLA1
Acrylic Acid Methyl Ester SCHEMBL28067179 1.00 TSHR (0.43) TSHRHPGDFAAHPOLBPOLA1
Acrylic Acid Methyl Ester SCHEMBL28288391 0.93 TSHR (0.46) TSHRHPGDFAAHPOLBPOLA1
Acrylic Acid Methyl Ester SCHEMBL28161995 0.92 HAO1 (0.40) TSHRHPGDFAAHPOLBPOLA1
Acrylic Acid SCHEMBL28094467 0.89 TSHR (0.44) TSHRFAAHPOLBPOLA1ZDHHC20
Propene SCHEMBL28167707 0.88 TSHR (0.46) TSHRFAAHPOLBPOLA1MEN1
SCHEMBL25178527 0.88 CES2 (0.48) TSHRPOLBPOLA1MEN1KMT2A
SCHEMBL3503494 0.88 CES2 (0.48) TSHRPOLBPOLA1MEN1KMT2A
SCHEMBL3751289 0.88 CES2 (0.48) TSHRPOLBPOLA1MEN1KMT2A
SCHEMBL3505246 0.88 CES2 (0.48) TSHRPOLBPOLA1MEN1KMT2A

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-106233510-A Composite particles for electrochemical element electrode and method for producing composite particles for electrochemical element electrode 日本瑞翁株式会社 2016-12-14 CN disclosed
CN-106030865-A Composite particle for electrochemical element electrode 日本瑞翁株式会社 2016-10-12 CN disclosed
CN-105794025-A Composite particle for electrochemical element electrode 日本瑞翁株式会社 2016-07-20 CN disclosed