SCHEMBL4014530

SCHEMBL4014530

CC(C[Al](CC(C)CC(C)(C)C)O[Al](CC(C)CC(C)(C)C)CC(C)CC(C)(C)C)CC(C)(C)C

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
SCHEMBL335869 0.76
SCHEMBL6051144 0.74
SCHEMBL134615 0.74 TSHR (0.36)
SCHEMBL4373534 0.70
SCHEMBL4372718 0.70
SCHEMBL4014619 0.69
SCHEMBL101918 0.67
SCHEMBL7939543 0.67 LMNA (0.32)
SCHEMBL9302609 0.66
SCHEMBL202501 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746167-B2 Process for the preparation of polyisoprene with a mainly alternating cis-1,4- alt-3,4 structure in the presence of a catalytic system comprising a pyridyl iron complex VERSALIS S.P.A. (IT) 2023-09-05 US claimed
EP-3740517-B1 PROCESS FOR THE PREPARATION OF POLYISOPRENE WITH A MAINLY ALTERNATING CIS-1,4- ALT-3,4 STRUCTURE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON COMPLEX VERSALIS SPA (IT) 2022-06-08 EP claimed
US-10954326-B2 Process for the preparation of syndiotactic 1,2-polybutadiene in the presence of a catalytic system comprising a pyridyl iron complex VERSALIS S.P.A. (IT) 2021-03-23 US claimed
CN-107835816-B Titanium azoxide complex, catalytic system comprising said Titanium azoxide complex and process for the (co) polymerization of conjugated dienes 维尔萨利斯股份公司 2021-03-09 CN claimed
EP-3529289-B1 PROCESS FOR PREPARING CONJUGATED DIENE (CO)POLYMERS IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON (III) COMPLEX VERSALIS SPA (IT) 2020-12-02 EP claimed
US-20200369805-A1 PROCESS FOR THE PREPARATION OF POLYISOPRENE WITH A MAINLY ALTERNATING CIS-1,4- ALT-3,4 STRUCTURE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON COMPLEX VERSALIS S.P.A. (IT) 2020-11-26 US claimed
EP-3740517-A1 PROCESS FOR THE PREPARATION OF POLYISOPRENE WITH A MAINLY ALTERNATING CIS-1,4- ALT-3,4 STRUCTURE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON COMPLEX Versalis S.p.A. (IT) 2020-11-25 EP claimed
EP-3529285-B1 PROCESS FOR THE PREPARATION OF SYNDIOTACTIC 1,2-POLYBUTADIENE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON COMPLEX VERSALIS SPA (IT) 2020-08-05 EP claimed
EP-3529285-A1 PROCESS FOR THE PREPARATION OF SYNDIOTACTIC 1,2-POLYBUTADIENE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON COMPLEX Versalis S.p.A. (IT) 2019-08-28 EP claimed
WO-2019142108-A1 PROCESS FOR THE PREPARATION OF POLYISOPRENE WITH A MAINLY ALTERNATING CIS-1,4- ALT-3,4 STRUCTURE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON COMPLEX VERSALIS S.P.A. (IT) 2019-07-25 WO claimed
WO-2018073798-A1 PROCESS FOR THE PREPARATION OF SYNDIOTACTIC 1,2-POLYBUTADIENE IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON COMPLEX VERSALIS S.P.A. (IT) 2018-04-26 WO claimed
EP-1153047-B1 METALLOCENE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN CATALYTIC SYSTEMS FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2009-06-24 EP claimed
US-11872548-B2 Oxo-nitrogenated iron complex, catalytic system comprising said oxo-nitrogenated iron complex and process for the (co)polymerization of conjugated dienes VERSALIS S.P.A. (IT) 2024-01-16 US disclosed
US-20230416436-A1 STEREOBLOCK DIENE COPOLYMERS AND PREPARATION PROCESS THEREOF KM TECHNOLOGIES GMBH (CH) 2023-12-28 US disclosed
EP-4251666-A1 STEREOBLOCK DIENE COPOLYMERS AND PREPARATION PROCESS THEREOF KM Technologies GmbH (CH) 2023-10-04 EP disclosed
US-11661470-B2 Butadiene-isoprene diblock copolymers and process for the preparation thereof VERSALIS S.P.A. (IT) 2023-05-30 US disclosed
WO-2014097199-A1 PROCESS FOR THE PREPARATION OF (CO) POLYMERS OF CONJUGATED DIENES IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A BIS-IMINE COMPLEX OF COBALT VERSALIS S.P.A. (IT) 2014-06-26 WO disclosed
WO-2013037911-A1 OXO-NITROGENATED COMPLEX OF LANTHANIDES, CATALYTIC SYSTEM COMPRISING SAID OXO-NITROGENATED COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2013-03-21 WO disclosed
WO-2013037913-A1 BIS-IMINE PYRIDINE COMPLEX OF LANTHANIDES, CATALYTIC SYSTEM COMPRISING SAID BIS-IMINE PYRIDINE COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2013-03-21 WO disclosed
WO-2013037910-A1 BIS-IMINE COMPLEX OF LANTHANIDES, CATALYTIC SYSTEM COMPRISING SAID BIS-IMINE COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2013-03-21 WO disclosed