SCHEMBL3107944

SCHEMBL3107944

N#CCCCCS(=O)(=O)CCCCC#N

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.46
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.34
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
CYP3A4 P08684 1/20 0.30
CA2 P00918 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
SCHEMBL16982089 0.92 NLRP3 (0.48) NLRP3TSHRALDH1A1TDP1MAPT
SCHEMBL25282905 0.87 NLRP3 (0.46) NLRP3TSHRALDH1A1TDP1MAPT
SCHEMBL1164349 0.83 NLRP3 (0.52) NLRP3TSHRALDH1A1TDP1LOX
SCHEMBL5663638 0.79 NLRP3 (0.60) NLRP3TSHRALDH1A1TDP1MAPT
SCHEMBL3309834 0.79 APP (0.44) NLRP3TSHRALDH1A1TDP1MAPT
SCHEMBL14670849 0.79 NLRP3 (0.48) NLRP3TSHRALDH1A1TDP1CA2
SCHEMBL31390822 0.79 NLRP3 (0.68) NLRP3TSHRALDH1A1TDP1MAPT
SCHEMBL9990991 0.79 NLRP3 (0.42) NLRP3TSHRALDH1A1TDP1MAPT
SCHEMBL18656204 0.79 MAPT (0.67) TSHRALDH1A1MAPT
SCHEMBL3260167 0.79 NLRP3 (0.48) NLRP3TSHRCA2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050100501-A1 Macroscopic fiber comprising single-wall carbon nanotubes and acrylonitrile-based polymer and process for making the same GEORGIA TECH RESEARCH CORPORATION 2005-05-12 US claimed
US-20040180201-A1 Macroscopic fiber comprising single-wall carbon nanotubes and acrylonitrile-based polymer and process for making the same GEORGIA TECH RESEARCH CORPORATION 2004-09-16 US claimed
US-5886118-A ACTIVATING THE ADDITIONAL HOMO- OR COPOLYMERIZATION IN SOLVENT AND A METAL CATALYST WITH AN INITIATOR SELECTED FROM THE GROUP CONSISTING OF SULFONYL HALIDES, HALOPROPIONITRILES, MONOADDUCTS DERIVED FROM SULFONYL HALIDES AND ACRYLONITRILE CASE WESTERN RESERVE UNIVERSITY (US) 1999-03-23 US claimed
EP-0872493-A2 Process for polymerizing acrylonitrile Case Western Reserve University (US) 1998-10-21 EP claimed
US-20100272978-A1 CARBON FIBERS AND FILMS AND METHODS OF MAKING SAME GEORGIA TECH RESEARCH CORPORATION (US) 2010-10-28 US disclosed
EP-2205364-A1 CARBON FIBERS AND FILMS AND METHODS OF MAKING SAME Georgia Tech Research Corporation (US) 2010-07-14 EP disclosed
US-20100112322-A1 CARBON FIBERS AND FILMS AND METHODS OF MAKING SAME GEORGIA TECH RESEARCH CORPORATION (US) 2010-05-06 US disclosed
EP-2114824-A2 CARBON FIBERS AND FILMS AND METHODS OF MAKING SAME Georgia Tech Research Corporation (US) 2009-11-11 EP disclosed
WO-2009126382-A2 SUPERCAPACITORS AND METHODS OF MAKING AND USING SAME GEORGIA TECH RESEARCH CORPORATION (US) 2009-10-15 WO disclosed
WO-2009049174-A1 CARBON FIBERS AND FILMS AND METHODS OF MAKING SAME GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-16 WO disclosed
WO-2008112349-A2 CARBON FIBERS AND FILMS AND METHODS OF MAKING SAME GEORGIA TECH RESEARCH CORPORATION (US) 2008-09-18 WO disclosed
US-7061749-B2 Supercapacitor having electrode material comprising single-wall carbon nanotubes and process for making the same GEORGIA TECH RESEARCH CORPORATION (US) 2006-06-13 US disclosed
US-20050100501-A1 Macroscopic fiber comprising single-wall carbon nanotubes and acrylonitrile-based polymer and process for making the same GEORGIA TECH RESEARCH CORPORATION 2005-05-12 US disclosed
US-6852410-B2 Macroscopic fiber comprising single-wall carbon nanotubes and acrylonitrile-based polymer and process for making the same GEORGIA TECH RESEARCH CORPORATION (US) 2005-02-08 US disclosed
US-20040180201-A1 Macroscopic fiber comprising single-wall carbon nanotubes and acrylonitrile-based polymer and process for making the same GEORGIA TECH RESEARCH CORPORATION 2004-09-16 US disclosed
EP-0872475-B1 Inhibiting formation of foulants in acrylonitrile manufacture or recovery NALCO EXXON ENERGY CHEM LP (US) 2003-10-22 EP disclosed
US-5886118-A ACTIVATING THE ADDITIONAL HOMO- OR COPOLYMERIZATION IN SOLVENT AND A METAL CATALYST WITH AN INITIATOR SELECTED FROM THE GROUP CONSISTING OF SULFONYL HALIDES, HALOPROPIONITRILES, MONOADDUCTS DERIVED FROM SULFONYL HALIDES AND ACRYLONITRILE CASE WESTERN RESERVE UNIVERSITY (US) 1999-03-23 US disclosed
EP-0872475-A2 Inhibiting formation of foulants in acrylonitrile manufacture or recovery NALCO/EXXON ENERGY CHEMICALS, L.P. (US) 1998-10-21 EP disclosed
EP-0872493-A2 Process for polymerizing acrylonitrile Case Western Reserve University (US) 1998-10-21 EP disclosed
US-4837057-A PRECIPITATING POLYMER FROM LATEX AND DISSOLVING IN SOLVENT THE STANDARD OIL COMPANY (US) 1989-06-06 US disclosed