Acrylonitrile

Acrylonitrile

SCHEMBL10732006

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

nearest known ligand 0.41

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.35

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
Acrylonitrile SCHEMBL8587637 0.87 TSHR (0.42) TSHRALDH1A1
SCHEMBL9515129 0.86 TSHR (0.43) TSHRALDH1A1
Water SCHEMBL10713209 0.86 TSHR (0.46) TSHRALDH1A1
SCHEMBL7124073 0.85 TDP1 (0.44) TSHRALDH1A1
Butadiene SCHEMBL20577815 0.84 TSHR (0.42) TSHRALDH1A1
SCHEMBL10762910 0.84
SCHEMBL20364 0.84
SCHEMBL27553112 0.84 TSHR (0.48) TSHRALDH1A1
SCHEMBL11125870 0.84
SCHEMBL9687196 0.82 TSHR (0.42) TSHRALDH1A1

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-103608393-A Single bath autodeposition coating for combination metal substrates and methods therefor HENKEL AG & CO KGAA 2014-02-26 CN disclosed
CN-103282451-A Glossy improved appearance auto-eposition coating, and methods of applying same HENKEL AG & CO KGAA 2013-09-04 CN disclosed
CN-100591812-C Preparation method of glycosylated nano-fibre for identifying protein and applications UNIV ZHEJIANG 2010-02-24 CN disclosed
CN-101285221-A Preparation method of glycosylated nano-fibre for identifying proteinicsubstance and applications UNIV ZHEJIANG (CN) 2008-10-15 CN disclosed
US-4680335-A LATEX, POLYMERS/SHELL-CORE/ COURTAULDS PLC (GB) 1987-07-14 US disclosed