SCHEMBL585305

SCHEMBL585305

O=C=NCCC1(CCN=C=O)CCCCC1

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
SCHEMBL10613754 0.90
SCHEMBL584645 0.87
SCHEMBL1964107 0.85
SCHEMBL8965967 0.78
SCHEMBL5411072 0.78
SCHEMBL49906 0.77
SCHEMBL7650373 0.77
SCHEMBL29206948 0.77 NAAA (0.39)
SCHEMBL4611189 0.77 NAAA (0.39)
SCHEMBL112830 0.76 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726522-A1 COMPOSITION BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS Deutschland GmbH (DE) 2014-05-07 EP claimed
WO-2013023980-A1 METHOD FOR HYDROPHOBING SUBSTRATES CONTAINING COLLAGEN FIBERS LANXESS DEUTSCHLAND GMBH (DE) 2013-02-21 WO claimed
WO-2013023979-A1 METHOD FOR DYEING SUBSTRATES CONTAINING COLLAGEN FIBRE LANXESS DEUTSCHLAND GMBH (DE) 2013-02-21 WO claimed
WO-2013001077-A1 COMPOSITION BASED ON COMPOUNDS CONTAINING CARBAMOYLSULFONATE GROUPS LANXESS DEUTSCHLAND GMBH (DE) 2013-01-03 WO claimed
WO-2012150179-A1 METHOD FOR PRESERVING A SUBSTRATE THAT CONTAINS COLLAGEN FIBRES LANXESS DEUTSCHLAND GMBH (DE) 2012-11-08 WO claimed
JP-2005504157-A 2005-02-10 JP claimed
EP-1440101-A1 POLYURETHANE, METHOD FOR PRODUCTION AND USE THEREOF BASF Coatings AG (DE) 2004-07-28 EP claimed
WO-2003033605-A1 NON-AQUEOUS COATING SUBSTANCE CONSISTING OF A SINGLE HEAT- AND ACTINIC RADIATION CURING CONSTITUENT, METHOD FOR PRODUCING SAME AND USE THEREOF BASF COATINGS AG (DE) 2003-04-24 WO claimed
WO-2003029319-A1 POLYURETHANE, METHOD FOR PRODUCTION AND USE THEREOF BASF COATINGS AG (DE) 2003-04-10 WO claimed
WO-2023238855-A1 TWO-COMPONENT MIXED POLYUREA RESIN COMPOSITION PRODUCTION RAW MATERIAL AND POLYUREA RESIN COMPOSITION ユニチカ株式会社 2023-12-14 WO disclosed
US-20230323010-A1 POLYURETHANE RESIN, NON-NATURAL LEATHER, AND INK MITSUI CHEMICALS, INC. (JP) 2023-10-12 US disclosed
EP-4225848-A1 METHOD OF PREPARING AN AQUEOUS TITANIUM DIOXIDE SLURRY, THE THUS PRODUCED SLURRY AND COATING COMPOSITIONS CONTAINING THE SAME BASF Coatings GmbH (DE) 2023-08-16 EP disclosed
EP-4217426-A1 AQUEOUS, LOW SOLIDS BASECOAT COMPOSITIONS BASF Coatings GmbH (DE) 2023-08-02 EP disclosed
EP-4206399-A1 POLYURETHANE RESIN, SYNTHETIC LEATHER, AND INK Mitsui Chemicals, Inc. (JP) 2023-07-05 EP disclosed
EP-0085776-A1 Novel composition for polyurethane resins Takeda Chemical Industries, Ltd. (JP) 1983-08-17 EP disclosed
EP-0081693-A1 Two-package type pressure-sensitive adhesive composition Takeda Chemical Industries, Ltd. (JP) 1983-06-22 EP disclosed
EP-0081713-A2 One-pack type thermosetting polyurethane coating composition Takeda Chemical Industries, Ltd. (JP) 1983-06-22 EP disclosed
EP-0081103-A1 One-can type pressure-sensitive adhesive composition Takeda Chemical Industries, Ltd. (JP) 1983-06-15 EP disclosed
EP-0068454-A1 Composition for polyurethane resins and production of the resins Takeda Chemical Industries, Ltd. (JP) 1983-01-05 EP disclosed
EP-0042701-A2 Isocyanate composition Takeda Chemical Industries, Ltd. (JP) 1981-12-30 EP disclosed