SCHEMBL800741

SCHEMBL800741

CC(C)(N=C=O)c1cccc(C(C)(C)OC#N)c1

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
SCHEMBL13015763 0.84
SCHEMBL34924 0.83 ESR1 (0.36)
SCHEMBL3067955 0.83 MAPK1 (0.38)
SCHEMBL12691980 0.81 GAA (0.35)
SCHEMBL45952 0.80 JAK2 (0.36)
SCHEMBL2494913 0.79 ESR1 (0.33)
SCHEMBL12050426 0.79 ESR1 (0.33)
SCHEMBL39076 0.79 HDAC8 (0.43)
SCHEMBL17299354 0.79 HDAC4 (0.39)
Carbimide SCHEMBL4253887 0.79 ESR1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180157174-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-06-07 US disclosed
US-20180149975-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-05-31 US disclosed
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2018-04-26 US disclosed
US-20170329225-A1 PHOTOSENSITIVE RESIN COMPOSITION, PLANOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PRODUCING PLANOGRAPHIC PRINTING PLATE, AND POLYMER COMPOUND FUJIFILM CORPORATION (JP) 2017-11-16 US disclosed
US-20170181932-A1 DENTAL POLYMERIZABLE MONOMER COMPOSITIONS MITSUI CHEMICALS, INC. (JP) 2017-06-29 US disclosed
US-20170173938-A1 PHOTOSENSITIVE RESIN COMPOSITION, PLANOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PRODUCING PLANOGRAPHIC PRINTING PLATE, AND POLYMER COMPOUND FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed
US-20170017154-A1 PHOTOSENSITIVE RESIN COMPOSITION, LITHOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2017-01-19 US disclosed
US-20170017153-A1 PHOTOSENSITIVE RESIN COMPOSITION, LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2017-01-19 US disclosed
US-20160331647-A1 METHACRYLAMIDE COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-11-17 US disclosed
US-20160074817-A1 Halogen Resistant Amides, Polyamides, and Membranes Made From the Same THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE INTERIOR (US) 2016-03-17 US disclosed
US-8828415-B2 Microcapsules with acetylene carbamide-polyurea polymers and formulations thereof for controlled release FMC CORPORATION 2014-09-09 US disclosed
US-8529880-B2 Biodegradable polyurethane/urea compositions POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2013-09-10 US disclosed
US-20130150964-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2013-06-13 US disclosed
US-20130121969-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2013-05-16 US disclosed
US-8349452-B2 Microcapsules, their preparation and use BASF SE (DE) 2013-01-08 US disclosed
US-20120245027-A1 MICROCAPSULES WITH ACETYLENE CARBAMIDE-POLYUREA POLYMERS AND FORMULATIONS THEREOF FOR CONTROLLED RELEASE FMC CORPORATION 2012-09-27 US disclosed
US-RE43480-E1 Coated optical fiber and curable compositions suitable for coating optical fiber CORNING INCORPORATED (US) 2012-06-19 US disclosed
US-20120149828-A1 WATERBORNE POLYISOCYANATE COMPOSITION THAT PROVIDES A LOW FRICTION COATING WEBB, DAVID 2012-06-14 US disclosed
US-20120067249-A1 MOISTURE CURABLE POLYDISULFIDES HENKEL AG & CO. KGAA (DE) 2012-03-22 US disclosed
US-20100327216-A1 MICROCAPSULES, THEIR PREPARATION AND USE BASF SE (DE) 2010-12-30 US disclosed