SCHEMBL455941

SCHEMBL455941

O=C=NC1(N=C=O)C[CH]CCC1

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
SCHEMBL3722325 0.86
SCHEMBL5970464 0.74
SCHEMBL994327 0.73
SCHEMBL570542 0.73
SCHEMBL266472 0.72
SCHEMBL161883 0.71
SCHEMBL8811482 0.71 ALDH1A1 (0.31)
SCHEMBL21750 0.71 ALDH1A1 (0.31)
SCHEMBL28663623 0.71 ALDH1A1 (0.31)
SCHEMBL28149798 0.71 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548530-A1 BLOCKED ISOCYANATE TERMINATED PREPOLYMERS WITH IMPROVED PROCESSING PROPERTIES LANXESS Solutions US Inc. (US) 2019-10-09 EP claimed
EP-3484937-A1 CAST URETHANES MADE FROM LOW FREE MONOMER PREPOLYMER WITH POLYCARBONATE BACKBONE Lanxess Solutions US Inc. (US) 2019-05-22 EP claimed
WO-2018102387-A1 BLOCKED ISOCYANATE TERMINATED PREPOLYMERS WITH IMPROVED PROCESSING PROPERTIES LANXESS SOLUTIONS US INC. (US) 2018-06-07 WO claimed
WO-2018013886-A1 CAST URETHANES MADE FROM LOW FREE MONOMER PREPOLYMER WITH POLYCARBONATE BACKBONE LANXESS SOLUTIONS US INC. (US) 2018-01-18 WO claimed
WO-2017053224-A1 STORAGE STABLE ACTIVATED PREPOLYMER COMPOSITION CHEMTURA CORPORATION (US) 2017-03-30 WO claimed
WO-2015047683-A1 PLASTICIZER FREE CURING COMPOSITION CHEMTURA CORPORATION (US) 2015-04-02 WO claimed
EP-2819855-A1 BALLISTIC RESILIENT RUN-FLAT TIRE, KIT AND METHOD THEREOF Arnco, Inc. (US) 2015-01-07 EP claimed
WO-2013130113-A1 BALLISTIC RESILIENT RUN-FLAT TIRE, KIT AND METHOD THEREOF ARNCO (US) 2013-09-06 WO claimed
CN-101107340-B Composition for heat-storage object formation, heat-storage object, and process for producing heat-storage object SK KAKEN CO LTD 2013-07-03 CN claimed
CN-102351738-A Method for the reduction of chlorine-containing components in organic isocyanates LANXESS DEUTSCHLAND GMBH 2012-02-15 CN claimed
CN-101084187-B Process for reducing chlorine-containing components in organic isocyanates LANXESS DEUTSCHLAND GMBH 2011-09-28 CN claimed
CN-102046712-A Process for preparing ridig polyisocyanurate foams using natural-oil polyols BAYER MATERIALSCIENCE LLC 2011-05-04 CN claimed
CN-101631815-A Fluorene-based polymer containing urethane groups, preparation method thereof and negative-type photosensitive resin composition comprising the same LG CHEMICAL LTD 2010-01-20 CN claimed
WO-2007131312-A2 ABRASION-RESISTANT THERMOSET POLYURETHANE ELASTOMER FORMULATION, PROCESS AND ARTICLE PETROPASY TECNOLOGIA EM POLIURETANOS LTDA. (BR) 2007-11-22 WO claimed
CN-1399535-A Dental Composition KERR CORP (US) 2003-02-26 CN claimed
WO-2001072864-A1 ROTATIONAL CASTING METHOD FOR COATING A FLEXIBLE SUBSTRATE AND RESULTING COATED FLEXIBLE ARTICLE UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-10-04 WO claimed
EP-0925590-A1 ELECTRICALLY CONDUCTIVE POLYETHER POLYURETHANES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1999-06-30 EP claimed
WO-1998011562-A1 ELECTRICALLY CONDUCTIVE POLYETHER POLYURETHANES UNIROYAL CHEMICAL COMPANY, INC. (US) 1998-03-19 WO claimed
EP-4370573-A1 SILANE MODIFIED ALIPHATIC POLYUREA Evonik Operations GmbH (DE) 2024-05-22 EP disclosed
WO-1998011562-A1 ELECTRICALLY CONDUCTIVE POLYETHER POLYURETHANES UNIROYAL CHEMICAL COMPANY, INC. (US) 1998-03-19 WO disclosed