Acrylonitrile

Acrylonitrile

SCHEMBL4634167

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

nearest known ligand 0.41

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 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
Acrylonitrile SCHEMBL2119792 0.92 ALDH1A1 (0.39) ALOX15HSD17B10ALDH1A1TSHR
Methacrylic Acid SCHEMBL16894604 0.91 ALOX15 (0.35) ALOX15HSD17B10ALDH1A1TSHR
SCHEMBL8077810 0.90 TDP1 (0.50) TDP1ALOX15HSD17B10ALDH1A1TSHR
Acrylonitrile SCHEMBL8743878 0.89 ALOX15 (0.36) ALOX15HSD17B10ALDH1A1TSHR
1,1-Dichloroethene SCHEMBL7714555 0.84 ALOX15 (0.33) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL28331301 0.84 ALOX15 (0.55) TDP1ALOX15HSD17B10ALDH1A1TSHR
Acrylonitrile SCHEMBL10487231 0.83 ALOX15 (0.31) ALOX15HSD17B10
Methacrylic Acid SCHEMBL27646271 0.82 TDP1 (0.50) TDP1ALDH1A1TSHR
Methacrylic Acid SCHEMBL6242441 0.82 ALOX15 (0.41) ALOX15HSD17B10ALDH1A1TSHR
Acrylonitrile SCHEMBL3037244 0.81 CES1 (0.34) TDP1ALOX15HSD17B10ALDH1A1TSHR

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
EP-1928398-A1 COSMETIC COMPOSITION CONTAINING THERMOPLASTIC MICROSPHERES AND SKIN BENEFICIAL AGENTS ELC Management LLC (US) 2008-06-11 EP disclosed
WO-2007038404-A1 COSMETIC COMPOSITION CONTAINING THERMOPLASTIC MICROSPHERES AND SKIN BENEFICIAL AGENTS ELC MANAGEMENT LLC (US) 2007-04-05 WO disclosed