Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL11575768

C=C(C)C(=O)OC.C=CC#N.C=CC(=O)OC

nearest known ligand 0.54

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 3/20 0.36
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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 SCHEMBL27460693 0.95 ALDH1A1 (0.48) ALDH1A1TSHR
Acrylic Acid Methyl Ester SCHEMBL8646230 0.94 ALDH1A1 (0.47) ALDH1A1TSHRHCAR2
Acrylic Acid Methyl Ester SCHEMBL5586490 0.91 ALDH1A1 (0.44) ALDH1A1TSHRHCAR2
Acrylonitrile SCHEMBL10915301 0.91 ALDH1A1 (0.65) ALDH1A1TSHR
Acrylonitrile SCHEMBL180070 0.91 ALDH1A1 (0.65) ALDH1A1TSHR
Acrylonitrile SCHEMBL5382420 0.91 ALDH1A1 (0.65) ALDH1A1TSHR
Dimethyl Maleate SCHEMBL28279603 0.89 ALDH1A1 (0.54) ALDH1A1TSHRKEAP1NFE2L2HCAR2
Dimethyl Fumarate SCHEMBL28041372 0.89 ALDH1A1 (0.54) ALDH1A1TSHRKEAP1NFE2L2HCAR2
Acrylonitrile SCHEMBL19515135 0.89 ALDH1A1 (0.58) ALDH1A1TSHR
Acrylonitrile SCHEMBL28123871 0.89 ALDH1A1 (0.62) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109647299-B Conductive expandable microcapsule and preparation method thereof 唐山开滦化工科技有限公司 2021-05-25 CN claimed
CN-109647300-A It is a kind of can physical blowing microcapsules and preparation method thereof 唐山开滦化工科技有限公司 2019-04-19 CN claimed
CN-109647299-A A kind of conductivity type may expand microcapsules and preparation method thereof 唐山开滦化工科技有限公司 2019-04-19 CN claimed
CN-109647299-B Conductive expandable microcapsule and preparation method thereof 唐山开滦化工科技有限公司 2021-05-25 CN disclosed
US-4102947-A IMPACT STRENGTH THE STANDARD OIL COMPANY (US) 1978-07-25 US disclosed