Acrylonitrile

Acrylonitrile

SCHEMBL2118231

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

nearest known ligand 0.36

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32

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
1,1-Dichloroethene SCHEMBL17629034 0.93 ALDH1A1 (0.31) ALDH1A1TSHR
Water SCHEMBL11376125 0.85
Water SCHEMBL11376129 0.85
Styrene SCHEMBL6471967 0.84 AKR1C3 (0.44) ALDH1A1TSHR
Butadiene SCHEMBL3428950 0.83 GRIK1 (0.35) ALDH1A1TSHRGRIK1GRIK2
Acrylic Acid SCHEMBL2152793 0.83 LMNA (0.48) ALDH1A1TSHRGRIK1GRIK2
Acrylic Acid SCHEMBL6686326 0.83 LMNA (0.48) ALDH1A1TSHRGRIK1GRIK2
Butadiene SCHEMBL8409931 0.83 GRIK1 (0.35) ALDH1A1TSHRGRIK1GRIK2
Ethylene SCHEMBL12984321 0.83 GRIK1 (0.38) ALDH1A1TSHRGRIK1GRIK2
SCHEMBL17817 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647160-A4 ION EXCHANGE RESIN. UNIV MONASH (AU) 1995-08-30 EP claimed
WO-1995018159-A1 ION EXCHANGE RESINS MONTECH PTY. LTD. (AU) 1995-07-06 WO claimed
EP-0647160-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1995-04-12 EP claimed
WO-1994000237-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1994-01-06 WO claimed
US-9356292-B2 Radical composition and battery using same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2016-05-31 US disclosed
US-20140061532-A1 RADICAL COMPOSITION AND BATTERY USING SAME WASEDA UNIVERSITY (JP) 2014-03-06 US disclosed
EP-2212247-B1 PROCESS FOR THE PREPARATION OF CRYSTALLINE LITHIUM-, VANADIUM- AND PHOSPHATE-COMPRISING MATERIALS BASF SE (DE) 2013-07-17 EP disclosed
US-20120095179-A1 PYRROLINE-BASED NITROXIDE POLYMER AND BATTERY USING SAME WASEDA UNIVERSITY (JP) 2012-04-19 US disclosed
US-5643387-A Instant color sublimation transfers PENROSE LUCAS ALBRIGHT 1997-07-01 US disclosed