Acrylonitrile

Acrylonitrile

SCHEMBL7143607

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

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL31435 0.83 TET2 (0.37) ALOX15HSD17B10
Acrylonitrile SCHEMBL571857 0.76 ALDH1A1 (0.38) ALDH1A1TSHR
Acrylonitrile SCHEMBL6536196 0.74 ALDH1A1 (0.36) ALDH1A1TSHR
Itaconate SCHEMBL27767716 0.74 ALOX15 (0.65) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL3226816 0.74 ALOX15 (0.65) ALOX15HSD17B10ALDH1A1TSHR
Acrylonitrile SCHEMBL2119792 0.74 ALDH1A1 (0.39) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL27796632 0.72 ALOX15 (0.63) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL28375691 0.72 ALOX15 (0.63) ALOX15HSD17B10ALDH1A1TSHR
Itaconate SCHEMBL27796637 0.72 ALOX15 (0.63) ALOX15HSD17B10ALDH1A1TSHR
Acrylonitrile SCHEMBL8407995 0.72 ALOX15 (0.38) ALOX15HSD17B10ALDH1A1TSHR

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-20030004084-A1 Gel particle for washing separation membrane module, manufacturing method thereof and washing method using the same NISSHINBO INDUSTRIES, INC. (JP) 2003-01-02 US disclosed
EP-1266683-A1 Gel particle for washing separation membrane modules, manufacturing method thereof and washing method using the same NISSHINBO INDUSTRIES, INC. (JP) 2002-12-18 EP disclosed