Acrylonitrile

Acrylonitrile

SCHEMBL7151502

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 5/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 3/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRM3 P20309 1/20 0.44
CHRNA4 P43681 1/20 0.44
THRB P10828 2/20 0.39
DNM1 Q05193 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL15115 0.89 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
Chloromethane SCHEMBL28391697 0.87 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL130714 0.87 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL8397415 0.87 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28612529 0.87 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Iodide SCHEMBL1254059 0.87 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL1399858 0.87 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Fluoride SCHEMBL1255037 0.87 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Bromide SCHEMBL1252827 0.87 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28017631 0.87 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054465-B1 Polyelectrolytic gel TOYO BOSEKI (JP) 2003-11-19 EP disclosed
US-6420072-B1 HEAT RESISTANCE AND DURABILITY AND IS SUPERIOR IN ELECTROCONDUCTIVITY, PARTICULARLY ION CONDUCTIVITY; CROSSLINKED POLYMER OF AN UNSATURATED MONOMER HAVING A NITROGEN-CONTAINING CATIONIC FUNCTIONAL GROUP (ACRYLONITRILE), TOYO BOSEKI KABUSHIKI KAISHA (JP) 2002-07-16 US disclosed
EP-1054465-A1 Polyelectrolytic gel Toyo Boseki Kabushiki Kaisha (JP) 2000-11-22 EP disclosed