SCHEMBL534026

SCHEMBL534026

C=CCCCC=CCN

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
SCHEMBL23367713 1.00
SCHEMBL534025 1.00
SCHEMBL6731505 0.85 ALDH1A1 (0.50)
SCHEMBL9327352 0.85 GABRR1 (0.32)
SCHEMBL6720513 0.85 ALDH1A1 (0.50)
SCHEMBL6720512 0.85 ALDH1A1 (0.50)
SCHEMBL6731503 0.85 ALDH1A1 (0.50)
SCHEMBL9327358 0.85 GABRR1 (0.32)
SCHEMBL1485746 0.82
SCHEMBL6727431 0.82 TSHR (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030286-B2 Reacting 1,3-butadiene with a telogen such as methanol, using a telomerization catalyst to form a telomer, partially hydrogenating the telomer to form a 1-substituted 2-octene and dissociating it to give 1-octene OXENO OLEFINCHEMIE GMBH (DE) 2006-04-18 US claimed
CN-1219738-C Method for producing 1-octen OXENO OLEFINCHEMIE GMBH (DE) 2005-09-21 CN claimed
EP-1358140-B1 METHOD FOR PRODUCING 1-OCTEN OXENO OLEFINCHEMIE GMBH (DE) 2004-12-29 EP claimed
CN-1491195-A Method for producing 1-octen �¿�ɭŵ���շһ�ѧ�ɷ����޹�˾ 2004-04-21 CN claimed
US-20040059170-A1 Method for producing 1-octen OXENO OLEFINCHEMIE GMBH (DE) 2004-03-25 US claimed
EP-1358140-A1 METHOD FOR PRODUCING 1-OCTEN Oxeno Olefinchemie GmbH (DE) 2003-11-05 EP claimed
WO-2002062732-A1 METHOD FOR PRODUCING 1-OCTEN OXENO OLEFINCHEMIE GMBH (DE) 2002-08-15 WO claimed
US-6051738-A TELOMERIZING BUTADIENE WITH AMMONIA CONTAINING HYDROPHOBIC AND HYDROPHILIC PHASES IN THE PRESENCE OF PALLADIUM COMPLEX CATALYST; ISOLATING OCTA-2,7-DIENYL-1-AMINE AND OCTA-1,7-DIENYL-3-AMINE AND ISOMERIZING BAYER AKTIENGESELLSCHAFT (DE) 2000-04-18 US claimed
EP-0773211-B1 Process for the preparation of primary octadienylamines BAYER AG (DE) 2000-01-12 EP claimed
EP-0939074-A2 Process for the preparation of octa-2,7-dienyl-amine from butadiene and ammonia in presence of palladium-complex catalysts Bayer Aktiengesellschaft (DE) 1999-09-01 EP claimed
US-5756846-A CATALYTIC TELOMERIZATION WITH BUTADIENE AND AMMONIA BAYER AKTIENGESELLSCHAFT (DE) 1998-05-26 US claimed
EP-0773211-A1 Process for the preparation of primary octadienylamines BAYER AG (DE) 1997-05-14 EP claimed
JP-9136863-A None JP disclosed
EP-1781586-B1 METHOD FOR THE TELOMERIZATION OF NON-CYCLIC OLEFINS EVONIK DEGUSSA GMBH (DE) 2014-05-14 EP disclosed
CN-101010275-B Method for the telomerization of non-cyclic olefins EVONIK OXENO GMBH 2013-05-08 CN disclosed
CN-101360549-B Method for the elimination of metal complex catalysts from telomerization mixtures EVONIK OXENO GMBH 2012-09-26 CN disclosed
EP-0773211-A1 Process for the preparation of primary octadienylamines BAYER AG (DE) 1997-05-14 EP disclosed
US-4130590-A FROM CONJUGATED DIENES AND AMMONIA OR AN AMINE, PALLADIUM COMPOUND-PHOSPHONITE CATALYST MONSANTO COMPANY (US) 1978-12-19 US disclosed
US-4100196-A AMINATION OF CONJUGATED DIENES IN A HYDROXYLIC SOLVENT AND PALLADIUM CATALYST MONSANTO COMPANY (US) 1978-07-11 US disclosed
US-4100194-A REACTIONNOF CONJUGATED DIENES WITH AMMONIA AND AMINES IN HYDROXYLIC SOLVENT MONSANTO COMPANY (US) 1978-07-11 US disclosed