Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL9453504

C=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(Cl)Cl.C=CC(=O)OCC

nearest known ligand 0.46

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ TSHR P16473 10/20 0.39
▸ HPGD P15428 1/20 0.38
▸ THRB P10828 2/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GLO1 Q04760 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 Ethyl Ester SCHEMBL11796049 0.95 ALDH1A1 (0.50) ALDH1A1TSHRHPGDTHRBHCAR2
Acrylic Acid Ethyl Ester SCHEMBL3360800 0.95 ALDH1A1 (0.50) ALDH1A1TSHRHPGDTHRBHCAR2
Acrylic Acid Ethyl Ester SCHEMBL10814174 0.94 ALDH1A1 (0.48) ALDH1A1TSHRHPGDTHRBHCAR2
Acrylic Acid Ethyl Ester SCHEMBL8051921 0.92 ALDH1A1 (0.47) ALDH1A1TSHRHPGDTHRBHCAR2
Acrylic Acid Ethyl Ester SCHEMBL453565 0.92 ALDH1A1 (0.47) ALDH1A1TSHRHPGDTHRBHCAR2
Acrylic Acid Ethyl Ester SCHEMBL28001077 0.91 ALDH1A1 (0.46) ALDH1A1TSHRHPGDTHRBHCAR2
Acrylic Acid Ethyl Ester SCHEMBL4889568 0.91 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTHRBHCAR2
Acrylic Acid Ethyl Ester SCHEMBL2097752 0.91 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTHRBHCAR2
Acrylic Acid Ethyl Ester SCHEMBL8736158 0.91 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTHRBHCAR2
Acrylic Acid Ethyl Ester SCHEMBL146757 0.91 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTHRBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5219718-A SILVER HALIDE PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1993-06-15 — — US disclosed
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