Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL9747656

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

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.36
THRB P10828 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
Acrylic Acid Ethyl Ester SCHEMBL27774266 0.90 TSHR (0.59) TSHRALDH1A1HPGDHCAR2TP53
Acrylic Acid Ethyl Ester SCHEMBL9818307 0.89 TSHR (0.48) TSHRALDH1A1HPGDHCAR2TP53
Acrylic Acid Ethyl Ester SCHEMBL1679973 0.89 TSHR (0.48) TSHRALDH1A1HPGDHCAR2TP53
Acrylic Acid Ethyl Ester SCHEMBL9069456 0.89 TSHR (0.48) TSHRALDH1A1HPGDHCAR2TP53
Acrylic Acid Ethyl Ester SCHEMBL156717 0.89 TSHR (0.48) TSHRALDH1A1HPGDHCAR2TP53
Acrylic Acid Ethyl Ester SCHEMBL10811728 0.88 HCAR2 (0.47) TSHRALDH1A1HPGDHCAR2TP53
Acrylic Acid Ethyl Ester SCHEMBL5860506 0.88 TSHR (0.47) TSHRALDH1A1HPGDHCAR2TP53
Acrylic Acid Ethyl Ester SCHEMBL27623718 0.88 TSHR (0.47) TSHRALDH1A1HPGDHCAR2TP53
Acrylic Acid Ethyl Ester SCHEMBL10809888 0.88 TSHR (0.47) TSHRALDH1A1HPGDHCAR2TP53
Acrylic Acid Ethyl Ester SCHEMBL10895636 0.86 TSHR (0.43) TSHRALDH1A1HPGDHCAR2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106724-A High speed, odorless KONICA CORPORATION (JP) 1992-04-21 US disclosed
US-4467027-A O-QUINONEDIAZIDE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-08-21 US disclosed