Acrylonitrile

Acrylonitrile

SCHEMBL10656106

C=CC.C=CC#N.OCCO

nearest known ligand 0.53

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53

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 SCHEMBL6208917 0.91
Ethylene Glycol SCHEMBL28872165 0.88 TSHR (0.33) TSHRALDH1A1
Ethylene Glycol SCHEMBL5144908 0.85 TSHR (0.32) TSHRALDH1A1
Ethylene Glycol SCHEMBL206376 0.84
Acrylonitrile SCHEMBL6477517 0.84
Acrylonitrile SCHEMBL11659933 0.84 ALDH1A1 (0.75) TSHRALDH1A1
Acrylonitrile SCHEMBL1325768 0.81
Acrylonitrile SCHEMBL67238 0.81
Ethylene Glycol SCHEMBL4769225 0.80 TSHR (0.46) TSHRALDH1A1
Ethylene Glycol SCHEMBL3193155 0.80 TSHR (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792574-A Stable, low viscosity polymer/polyisocyanate dispersion made using a macromolecular monomer and a functional monomer OLIN CORPORATION (US) 1988-12-20 US disclosed