SCHEMBL448803

SCHEMBL448803

CC(CN=C=O)CC(C)(C)CN=C=O

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
SCHEMBL8578678 0.90
SCHEMBL8766250 0.90
SCHEMBL627532 0.84
SCHEMBL1292039 0.84
SCHEMBL1065714 0.84
SCHEMBL3450660 0.82
SCHEMBL28314078 0.81
SCHEMBL6331404 0.81
SCHEMBL27676 0.81
SCHEMBL13386484 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788085-A1 PROCESS FOR PREPARING CARBODIIMIDES BASF SE (DE) 2021-03-10 EP claimed
EP-1687385-B1 ULTRAVIOLET-CURABLE POLYOLS AND POLYURETHANE COMPOSITIONS MADE THEREFROM BAYER MATERIALSCIENCE LLC (US) 2013-04-03 EP claimed
EP-1522546-B1 Polyetherurethaneurea elastomers and thin-walled articles prepared therefrom BAYER MATERIALSCIENCE LLC (US) 2008-07-09 EP claimed
WO-2007145399-A1 ASSOCIATIVE POLYMERIC THICKENER AND SURFACTANT AMOREPACIFIC CORPORATION (KR) 2007-12-21 WO claimed
US-20070265367-A1 Ultraviolet-curable polyols and polyurethane compositions made therefrom ALLNEX NETHERLANDS B.V. (NL) 2007-11-15 US claimed
US-7041708-B2 An isocyanate with a polyol made by reacting a polyoxyalkylene glycol, an unsaturated carboxylic acid or anhydride and an alkanol to obtain an acid-modified polyether or polyetherester of an ultra-low level of unsaturation; coatings, adhesives, sealants; low modulus, tensile strength; solvent resistance BAYER MATERIALSCIENCE LLC (US) 2006-05-09 US claimed
US-20050107486-A1 UV-curable polyols BAYER MATERIALSCIENCE LLC 2005-05-19 US claimed
US-20050107485-A1 Ultraviolet-curable polyurethane compositions ALLNEX NETHERLANDS B.V. (NL) 2005-05-19 US claimed
EP-1522546-A2 Polyetherurethaneurea elastomers and thin-walled articles prepared therefrom Bayer MaterialScience LLC (US) 2005-04-13 EP claimed
US-20050070682-A1 Polyetherurethaneurea elastomers and thin-walled articles prepared therefrom BAYER MATERIALSCIENCE LLC 2005-03-31 US claimed
US-6353041-B1 PLASTICS FOR SEALING ROOTS OF TEETH KERR CORPORATION 2002-03-05 US claimed
US-4664979-A DURABLE MAGNETIC TAPES FUJI PHOTO FILM CO., LTD. (JP) 1987-05-12 US claimed
US-4321350-A Process for the catalytic setting of polyurethane molding compositions GAMBRO DIALYSATOREN KG (DE) 1982-03-23 US claimed
EP-4316850-B1 ELECTRON BEAM CURING INKJET INK, INK SET, AND IMAGE RECORDING METHOD FUJIFILM CORP (JP) 2026-04-22 EP disclosed
US-12492315-B2 Article with recorded image, active energy ray curable-type ink, ink set, and manufacturing method of article with recorded image FUJIFILM CORPORATION (JP) 2025-12-09 US disclosed
EP-4613486-A1 INKJET RECORDING DEVICE AND INKJET RECORDING METHOD FUJIFILM Corporation (JP) 2025-09-10 EP disclosed
US-3940542-A Polyurethane hydrogel fibers and tapes and composites with natural and other synthetic fibers or films UNION CARBIDE CORPORATION (US) 1976-02-24 US disclosed
US-3939123-A HIGH WATER SWELLABILITY UNION CARBIDE CORPORATION (US) 1976-02-17 US disclosed
US-3939105-A Microporous polyurethane hydrogels, method and composites with natural and other synthetic fibers or films UNION CARBIDE CORPORATION (US) 1976-02-17 US disclosed
US-3933695-A Hydroxyalkenylsiloxane rigid poly urethane foam stabilizers UNION CARBIDE CORPORATION (US) 1976-01-20 US disclosed