SCHEMBL482331

SCHEMBL482331

BrC1=C(Br)CC[CH]CC1

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
SCHEMBL4986946 0.77
SCHEMBL4986949 0.77
SCHEMBL5699943 0.74
SCHEMBL5699939 0.74
SCHEMBL6693116 0.74
SCHEMBL31398609 0.69
SCHEMBL1203 0.62
SCHEMBL1387786 0.61
SCHEMBL420893 0.61
SCHEMBL5953071 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049253-B1 integrated process comprising dehydration using ruthenium catalysts and regneration thereof BASF SE (DE) 2019-09-11 EP disclosed
US-9084983-B2 Catalyst and process for hydrogenating aromatics BASF SE (DE) 2015-07-21 US disclosed
US-9061961-B2 Method for direct amination of hydrocarbons to form amino hydrocarbons with the electrochemical separation of hydrocarbon BASF SE (DE) 2015-06-23 US disclosed
EP-2451769-B1 PROCESS FOR DIRECT AMINATION OF HYDROCARBONS TO AMINO HYDROCARBONS WITH ELECTROCHEMICAL SEPARATION OF HYDROGEN BASF SE (DE) 2015-01-07 EP disclosed
EP-2451770-B1 PROCESS FOR DIRECT AMINATION OF HYDROCARBONS TO AMINO HYDROCARBONS WITH ELECTROCHEMICAL SEPARATION OF HYDROGEN AND ELECTROCHEMICAL REACTION OF THE HYDROGEN TO WATER BASF SE (DE) 2015-01-07 EP disclosed
US-8895791-B2 Method of regenerating ruthenium catalysts suitable for hydrogenation BASF SE (DE) 2014-11-25 US disclosed
EP-2757113-A2 Catalysts, processes for making catalysts, processes for making polyolefin compositions and polyolefin compositions Dow Global Technologies LLC (US) 2014-07-23 EP disclosed
EP-2736971-A1 SEMI-CRYSTALLINE POLYOLEFIN COMPOSITION, METHOD OF PRODUCING THE SAME, AND ARTICLES MADE THEREFROM Dow Global Technologies LLC (US) 2014-06-04 EP disclosed
US-8680186-B2 Semi-crystalline polyolefin composition, method of producing the same, and articles made therefrom ROHM AND HAAS COMPANY (US) 2014-03-25 US disclosed
US-8642810-B2 Method for the direct amination of hydrocarbons into amino hydrocarbons, including electrochemical separation of hydrogen and electrochemical reaction of the hydrogen into water BASF SE (DE) 2014-02-04 US disclosed
WO-2000069804-A1 AMINATION OF AROMATIC HYDROCARBONS AND HETEROCYCLIC ANALOGS THEREOF SYMYX TECHNOLOGIES INC. (US) 2000-11-23 WO disclosed
WO-2000064841-A2 PHOSPHINE LIGANDS, METAL COMPLEXES AND COMPOSITIONS THEREOF FOR CROSS-COUPLING REACTIONS SYMYX TECHNOLOGIES, INC. (US) 2000-11-02 WO disclosed
WO-2000059961-A1 POLYMERIZATION CATALYST LIGANDS, CATALYTIC METAL COMPLEXES AND COMPOSITIONS AND PROCESSES USING AND METHODS OF MAKING SAME SYMYX TECHNOLOGIES, INC. (US) 2000-10-12 WO disclosed
EP-1037872-A1 CATALYST LIGANDS, CATALYTIC METAL COMPLEXES AND PROCESSES USING SAME SYMYX TECHNOLOGIES (US) 2000-09-27 EP disclosed
US-6124476-A SUZUKI CROSS-COUPLING REACTIONS. PHOSPHINOBENZALDEHYDES AND ACETALS SYMYX TECHNOLOGIES, INC. (US) 2000-09-26 US disclosed
WO-2000053640-A1 CONTROLLED FREE RADICAL EMULSION AND WATER-BASED POLYMERIZATIONS AND SEEDED METHODOLOGIES SYMYX TECHNOLOGIES, INC. (US) 2000-09-14 WO disclosed
WO-2000020377-A1 CATALYST LIGANDS, CATALYTIC METAL COMPLEXES AND PROCESSES USING SAME SYMYX TECHNOLOGIES (US) 2000-04-13 WO disclosed
EP-0989988-A1 ANCILLARY LIGANDS AND METAL COMPLEXES THEREOF SYMYX TECHNOLOGIES (US) 2000-04-05 EP disclosed
WO-2000008032-A1 CATALYST LIGANDS USEFUL FOR CROSS-COUPLING REACTIONS SYMYX TECHNOLOGIES, INC. (US) 2000-02-17 WO disclosed
WO-1999054337-A1 ANCILLARY LIGANDS AND METAL COMPLEXES THEREOF SYMYX TECHNOLOGIES (US) 1999-10-28 WO disclosed