SCHEMBL146005

SCHEMBL146005

[CH2]CCCS(=O)(=O)CC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL3373287 0.92 CA2 (0.39)
SCHEMBL3034954 0.89 CA2 (0.43)
SCHEMBL7622945 0.84 APEX1 (0.32)
SCHEMBL148338 0.83 CA2 (0.43)
SCHEMBL150724 0.83 CA2 (0.38)
SCHEMBL145313 0.81
SCHEMBL2047865 0.81 CA2 (0.52)
SCHEMBL777041 0.81 CA2 (0.48)
SCHEMBL4250296 0.79 CA2 (0.32)
SCHEMBL8339213 0.78 CA2 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344142-B2 perylenetetracarboxylic diimide core having side chains (groups or mesogens) attached to the core; to provide charge-transport materials having various volatilities, solubilities, crystallinity, and charge transport ability; organic light emitting diode; photovoltaic cells, light-emitting diodes GEORGIA TECH RESEARCH CORPORATION (US) 2013-01-01 US claimed
US-8039625-B2 Coronene charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-18 US claimed
EP-1517886-B1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP claimed
CN-100556903-C Phthalic acid derivative and as the purposes of preparation butyl benzene orthobenzol diacid amide derivative intermediate BAYER CROPSCIENCE AG (DE) 2009-11-04 CN claimed
CN-100516033-C Novel phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2009-07-22 CN claimed
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2009-02-19 US claimed
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2008-09-18 US claimed
CN-1955172-A Phthalic acid derivative and use for preparing phthalamide derivative intermediate BAYER CROPSCIENCE AG (DE) 2007-05-02 CN claimed
CN-1955162-A Phthalic acid derivative and use for preparing phthalamide derivative intermediate BAYER CROPSCIENCE AG (DE) 2007-05-02 CN claimed
US-7132455-B2 Phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-11-07 US claimed
US-20060035967-A1 Novel phthalamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-02-16 US claimed
WO-2005124453-A2 PERYLENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 WO claimed
CN-1671655-A Novel phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2005-09-21 CN claimed
EP-1517886-A1 NOVEL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-03-30 EP claimed
EP-1379577-B1 CONTROLLING SOLAR RADIATION IN SAFETY GLASS LAMINATES SOLUTIA INC (US) 2004-08-25 EP claimed
US-6737159-B2 Controlling solar radiation in safety glass laminates SOLUTIA, INC. 2004-05-18 US claimed
EP-1379577-A1 CONTROLLING SOLAR RADIATION IN SAFETY GLASS LAMINATES Solutia Inc. (US) 2004-01-14 EP claimed
WO-2004000796-A1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-12-31 WO claimed
US-20020182422-A1 Controlling solar radiation in safety glass laminates SOLUTIA INC. 2002-12-05 US claimed
WO-2002077081-A1 CONTROLLING SOLAR RADIATION IN SAFETY GLASS LAMINATES SOLUTIA, INC. (US) 2002-10-03 WO claimed