Acrylonitrile

Acrylonitrile

SCHEMBL7720260

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

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.83
CYP3A4 P08684 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
HPGD P15428 1/20 0.46
CA2 P00918 3/20 0.46
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36

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 SCHEMBL2537152 0.97 TSHR (0.78) TSHRCYP3A4TDP1ATMALDH1A1
Acrylic Acid SCHEMBL7187166 0.96 TSHR (0.76) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL29596375 0.91 TSHR (1.00) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL20609794 0.91 TSHR (1.00) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL16765797 0.91 TSHR (1.00) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL14869 0.91 TSHR (1.00) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL31738423 0.90 TSHR (0.97) TSHRCYP3A4TDP1ATMALDH1A1
Bromide SCHEMBL20490069 0.90 TSHR (0.97) TSHRCYP3A4TDP1ATMALDH1A1
Hydrochloric Acid SCHEMBL10432463 0.90 TSHR (0.97) TSHRCYP3A4TDP1ATMALDH1A1
Fluoride SCHEMBL28158331 0.90 TSHR (0.97) TSHRCYP3A4TDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11177537-B2 Separator enclosures for electrodes and electrochemical cells CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-11-16 US disclosed
US-20180261818-A1 SEPARATOR ENCLOSURES FOR ELECTRODES AND ELECTROCHEMICAL CELLS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-09-13 US disclosed
US-9991492-B2 Separator enclosures for electrodes and electrochemical cells CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-06-05 US disclosed
US-9306208-B2 Manufacturing method of an electrode for electrochemical element and an electrochemical element ZEON CORPORATION (JP) 2016-04-05 US disclosed
US-20150180000-A1 SEPARATOR ENCLOSURES FOR ELECTRODES AND ELECTROCHEMICAL CELLS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-06-25 US disclosed
US-20150171398-A1 ELECTROCHEMICAL SEPARATORS WITH INSERTED CONDUCTIVE LAYERS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-06-18 US disclosed
US-20140342225-A1 ELECTRODE FOR ELECTROCHEMICAL DEVICE ZEON CORPORATION (JP) 2014-11-20 US disclosed
EP-2757620-A1 ELECTRODE FOR ELECTROCHEMICAL ELEMENT Zeon Corporation (JP) 2014-07-23 EP disclosed
US-20140023922-A1 MANUFACTURING METHOD OF AN ELECTRODE FOR ELECTROCHEMICAL ELEMENT AND AN ELECTROCHEMICAL ELEMENT ZEON CORPORATION (JP) 2014-01-23 US disclosed
US-6390538-B1 Impact absorbing member for vehicle interior KANEKA CORPORATION (JP) 2002-05-21 US disclosed
EP-0351831-B1 Improved polyester compositions UNION CARBIDE CHEM PLASTIC (US) 1994-11-30 EP disclosed
EP-0351831-A2 Improved polyester compositions UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (a New York corporation) (US) 1990-01-24 EP disclosed
US-3998654-A SWELLING, DETACKIFYING WITH POLYVALENT METAL-CONTAINING MATERIAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-12-21 US disclosed
US-3988405-A CERAMIC, ACRYLIC POLYMER BINDER SMITH ROBERT D 1976-10-26 US disclosed