Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL27460693

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

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 2/20 0.33

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 SCHEMBL5586490 0.95 ALDH1A1 (0.44) ALDH1A1TSHR
Acrylic Acid Methyl Ester SCHEMBL11575768 0.95 ALDH1A1 (0.54) ALDH1A1TSHR
1,1-Dichloroethene SCHEMBL667752 0.92 ALDH1A1 (0.58) ALDH1A1TSHR
Acrylic Acid Methyl Ester SCHEMBL9246786 0.90 TSHR (0.36) ALDH1A1TSHR
Acrylic Acid Methyl Ester SCHEMBL7162990 0.90 ALDH1A1 (0.60) ALDH1A1TSHR
Acrylic Acid Methyl Ester SCHEMBL8646230 0.89 ALDH1A1 (0.47) ALDH1A1TSHR
Acrylic Acid SCHEMBL27462908 0.89 ALDH1A1 (0.50) ALDH1A1TSHR
1,1-Dichloroethene SCHEMBL28523781 0.87 ALDH1A1 (0.52) ALDH1A1TSHR
Acrylonitrile SCHEMBL5382420 0.86 ALDH1A1 (0.65) ALDH1A1TSHR
Acrylonitrile SCHEMBL180070 0.86 ALDH1A1 (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1160535-A Blood collection tube assembly BECTON DICKINSON CO (US) 1997-10-01 CN claimed
CN-1160532-A Blood collection tube assembly BECTON DICKINSON CO (US) 1997-10-01 CN claimed
CN-1160535-A Blood collection tube assembly BECTON DICKINSON CO (US) 1997-10-01 CN disclosed
CN-1160533-A Blood collection tube assembly BECTON DICKINSON CO (US) 1997-10-01 CN disclosed