Acrylonitrile

Acrylonitrile

SCHEMBL8677149

C=CC#N.CC=C1CC2C=CC1C2

nearest known ligand 0.73

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.73
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
Propene SCHEMBL16439952 0.88 HSD17B10 (0.88) HSD17B10
Propene SCHEMBL2322954 0.86 HSD17B10 (0.85) HSD17B10
Propene SCHEMBL1661040 0.86 HSD17B10 (0.85) HSD17B10
Propene SCHEMBL1022915 0.86 HSD17B10 (0.85) HSD17B10
Butadiene SCHEMBL10731965 0.86 HSD17B10 (0.85) HSD17B10
Ethylene SCHEMBL11522064 0.86 HSD17B10 (0.92) HSD17B10
SCHEMBL31490441 0.86
SCHEMBL18277428 0.86
Iodide SCHEMBL11882843 0.84 HSD17B10 (0.96) HSD17B10
SCHEMBL713600 0.81 HSD17B10 (0.76) HSD17B10

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
EP-0585147-B1 Low density polyolefin foam, foamable polyolefin compositions and process for making same ASTRO VALCOUR INC (US) 1998-04-08 EP disclosed