SCHEMBL5220310

SCHEMBL5220310

O=C1OC(=O)C2CC=CC1C2

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
SCHEMBL9602536 0.80 KDM4E (0.32)
SCHEMBL9587213 0.74 TDP1 (0.35)
SCHEMBL3199574 0.68
SCHEMBL3217943 0.68
SCHEMBL15088781 0.68
SCHEMBL971692 0.68
SCHEMBL7962224 0.67
SCHEMBL18903326 0.66 KDM4E (0.39)
SCHEMBL8760683 0.65
SCHEMBL13226519 0.64

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824916-A1 CURABLE RESINOUS COMPOSITIONS AND SCRATCH RESISTANT COUNTERTOPS DERIVED THEREFROM Laboratory Tops, Inc. (US) 2007-08-29 EP disclosed
WO-2006052253-A1 CURABLE RESINOUS COMPOSITIONS AND SCRATCH RESISTANT COUNTERTOPS DERIVED THEREFROM LABORATORY TOPS, INC. (US) 2006-05-18 WO disclosed
US-20050096417-A1 Curable resinous compositions and scratch resistant countertops derived therefrom DEUTSCHE BANK AG NEW YORK BRANCH 2005-05-05 US disclosed
US-6632913-B2 Reacting lactone-modified diol with polyfunctional isocyanate to form isocyanate group-having urethane prepolymer, wherein lactone-modified diol is obtainable by ring-opening addition polymerization of lactone monomer with a diol DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-10-14 US disclosed
US-20020077444-A1 Reacting lactone-modified diol with polyfunctional isocyanate to form isocyanate group-having urethane prepolymer, wherein lactone-modified diol is obtainable by ring-opening addition polymerization of lactone monomer with a diol DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-06-20 US disclosed
US-6140381-A USING A 2,2,4,4-TETRAKIS(ALKYL)-1,3,2,4-DITHIADISTANNETANE AS CATALYST FOR REACTING A POLYISOCYANATE AND POLYOL; APPLYING THE REACTION MIXTURE TO A SUBSTRATE AND CURING; LONG POT LIVES; CATALYST UNEFFECTED BY MOISTURE; ODORLESS BAYER CORPORATION (US) 2000-10-31 US disclosed
US-5607998-A Process for the repair of plastic parts using non-sagging, sandable polyurethane compositions BAYER CORPORATION (US) 1997-03-04 US disclosed
US-5558917-A Polyurethane carpet backing process based on polymeric MDI quasi-prepolymers BAYER CORPORATION (US) 1996-09-24 US disclosed
US-5462766-A Using polymethylene poly(phenylisocyanate) and 2,2'- and 2,4'-methylene bis(phenylisocyanate) and alcohols; quick-setting BAYER CORPORATION (US) 1995-10-31 US disclosed
US-5382645-A Process for the preparation of crosslinked poly(isocyanates) MILES INC. (US) 1995-01-17 US disclosed
US-5364913-A Thermoset compositions based on nylon-1 MILES INC. (US) 1994-11-15 US disclosed
EP-0392285-B1 Method of direct manufacture of pigmented polyurethane powder BAYER AG (DE) 1993-11-03 EP disclosed
US-4985490-A EMULSION REACTION, SURFACTANT TO PREVENT AGGLOMERATION, PIGMENT INCORPORATED DURING POLYMERIZATION BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed
EP-0394789-A1 Continuous process for the production of powdered polyisocyanate addition products and the powders produced therefrom BAYER AG (DE) 1990-10-31 EP disclosed
EP-0392285-A2 Method of direct manufacture of pigmented polyurethane powder BAYER AG (DE) 1990-10-17 EP disclosed
US-4940750-A Continuous process for the production of powdered polyisocyanate addition products and the powders produced therefrom BAYER AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed