SCHEMBL900283

SCHEMBL900283

C=CC(N=C=O)OC(C=C)N=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
SCHEMBL9063989 0.80
SCHEMBL3374507 0.75
SCHEMBL11633082 0.73
SCHEMBL7934610 0.69
SCHEMBL476177 0.69
SCHEMBL4664668 0.68
SCHEMBL4664669 0.68
SCHEMBL7925217 0.67
SCHEMBL14877464 0.67
SCHEMBL11871507 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174910-A1 ISOCYANATE-AMINE-BASED CHEMICAL ANCHOR WITH IMPROVED PERFORMANCE, AND USE THEREOF HILTI AKTIENGESELLSCHAFT (LI) 2024-05-30 US disclosed
US-20240174569-A1 ISOCYANATE-AMINE-BASED CHEMICAL ANCHOR WITH IMPROVED STORAGE STABILITY, AND USE THEREOF HILTI AKTIENGESELLSCHAFT (LI) 2024-05-30 US disclosed
US-20240166870-A1 ISOCYANATE-AMINE-BASED CHEMICAL ANCHOR WITH IMPROVED PERFORMANCE, AND USE THEREOF HILTI AKTIENGESELLSCHAFT (LI) 2024-05-23 US disclosed
EP-4308519-A1 CHEMICAL WALL PLUG ON ISOCYANATE-AMINE BASIS WITH IMPROVED STORAGE STABILITY, AND USE THEREOF Hilti Aktiengesellschaft (LI) 2024-01-24 EP disclosed
EP-4308520-A1 CHEMICAL WALL PLUG ON ISOCYANATE-AMINE BASIS WITH IMPROVED STRENGTH, AND USE THEREOF Hilti Aktiengesellschaft (LI) 2024-01-24 EP disclosed
EP-4308518-A1 CHEMICAL WALL PLUG ON ISOCYANATE-AMINE BASIS WITH IMPROVED STRENGTH, AND USE THEREOF Hilti Aktiengesellschaft (LI) 2024-01-24 EP disclosed
WO-2023148059-A1 FOAMABLE MULTI-COMPONENT COMPOSITION, AND FOAMED FIRE-PROTECTION PROFILE HAVING TEMPERATURE-REGULATING FILLERS HILTI AKTIENGESELLSCHAFT (LI) 2023-08-10 WO disclosed
EP-4223815-A1 FOAMABLE MULTICOMPONENT COMPOSITION AND FOAMED FIRE RETARDANT PROFILE WITH TEMPERATURE REGULATING FILLERS Hilti Aktiengesellschaft (LI) 2023-08-09 EP disclosed
US-20230111109-A1 Mortar composition based on isocyanate amine adducts, multi-component resin system, method for the fastening of construction elements and use of the multi component resin system for the fastening of construction elements HILTI AKTIENGESELLSCHAFT (LI) 2023-04-13 US disclosed
US-20230114437-A1 ISOCYANATE-AMINE-BASED CHEMICAL ANCHOR WITH IMPROVED PERFORMANCE, AND USE THEREOF HILTI AKTIENGESELLSCHAFT (LI) 2023-04-13 US disclosed
US-20090253826-A1 SILVER-CONTAINING POLYURETHANEUREA SOLUTION BAYER MATERIALSCIENCE AG (DE) 2009-10-08 US disclosed
US-20090252804-A1 MEDICAL DEVICES WITH AN ANTIBACTERIAL POLYURETHANEUREA COATING BAYER MATERIALSCIENCE AG (DE) 2009-10-08 US disclosed
US-7425516-B2 Polyurethane urea solutions BAYER MATERIALSCIENCE AG (DE) 2008-09-16 US disclosed
US-7317112-B2 Catalysts for selective isocyanate dimerization BAYER MATERIALSCIENCE AG (DE) 2008-01-08 US disclosed
US-20070166552-A1 Polyurethane-polyurea coatings BAYER MATERIALSCIENCE AG (DE) 2007-07-19 US disclosed
US-20060189234-A1 in gamma -butyrolactone; synthesized from: linear macrodiols an aliphatic, cycloaliphatic or aromatic diisocyanate and a chain extender; textile products or leather BAYER MATERIALSCIENCE AG (DE) 2006-08-24 US disclosed
US-7060817-B2 Sulfonamide anions as catalysts for NCO oligomerization BAYER MATERIALSCIENCE AG (DE) 2006-06-13 US disclosed
US-20050033005-A1 Sulfonamide anions as catalysts for NCO oligomerization BAYER MATERIALSCIENCE AG (DE) 2005-02-10 US disclosed
US-20050033006-A1 Sulfonamide ions as catalysts for dimerization BAYER MATERIALSCIENCE AG (DE) 2005-02-10 US disclosed
US-4051166-A Araliphatic diisocyanates THE UPJOHN COMPANY (US) 1977-09-27 US disclosed