SCHEMBL5006739

SCHEMBL5006739

CC1=CC=CC1=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
SCHEMBL28852321 0.67
SCHEMBL9808814 0.67
SCHEMBL27656421 0.61
SCHEMBL27556539 0.61
SCHEMBL27365398 0.61
SCHEMBL28387601 0.61
SCHEMBL27763290 0.61
SCHEMBL27771772 0.61
SCHEMBL27974034 0.61
SCHEMBL27458474 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449533-B2 Metallocene compound, process for preparing metallocene compound, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2008-11-11 US disclosed
EP-1283223-B1 Use of a mixture of two metallocene regioisomers as catalyst component for preparing bimodal isotactic polyolefins TOTAL PETROCHEMICALS RES FELUY (BE) 2008-04-09 EP disclosed
EP-1138687-B1 Metallocenes, their preparation, olefin polymerisation catalysts and a process for producing polyolefins MITSUI CHEMICALS INC (JP) 2007-04-11 EP disclosed
US-20050228155-A1 Metallocene compound, process for preparing metallocene compund, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2005-10-13 US disclosed
US-6939928-B1 Metallocene compound, process for producing metallocene compound, olefin polymerization catalyst, process for producing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2005-09-06 US disclosed
EP-0984989-B1 USE OF METALLOCENE CATALYSTS FOR PRODUCING REGIOSPECIFIC, ISOTACTIC POLYOLEFINS ATOFINA RES (BE) 2003-06-25 EP disclosed
US-6559089-B1 An alumoxane is dissolved in a hydrocarbon solvent; an inert support is slurried in a hydrocarbon solvent; the metallocene catalyst component is added to the slurry FINA TECHNOLOGY, INC. 2003-05-06 US disclosed
EP-1283223-A2 Polyolefin production ATOFINA Research (BE) 2003-02-12 EP disclosed
EP-1138687-A1 METALLOCENE COMPOUND, PROCESS FOR PRODUCING METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING POLYOLEFIN, AND POLYOLEFIN Mitsui Chemicals, Inc. (JP) 2001-10-04 EP disclosed
US-6225425-B1 SUSPENSION OR GAS PHASE POLYMERIZATION OF PROPYLENE OR CYCLIC OLEFIN IN PRESENCE OF CATALYST COMPRISING METALLOCENE AND ALUMINOXANE TARGOR GMBH (DE) 2001-05-01 US disclosed
EP-0881236-A1 Metallocene catalyst component for use in producing isotactic polyolefins FINA RESEARCH S.A. (BE) 1998-12-02 EP disclosed
US-5650528-A Metallocene compounds PHILLIPS PETROLEUM COMPANY (US) 1997-07-22 US disclosed
US-5646323-A COMPLEXING CYCLOPENTADIENYL-TYPE LIGAND, ALKALI METAL ALKYL, AND GROUP IVB OR VB METAL HALIDE TO FORM POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-07-08 US disclosed
US-5591879-A INTERMEDIATES FOR METALLOCENE POLYMERIZATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1997-01-07 US disclosed
US-5578741-A OLEFIN POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-11-26 US disclosed
US-5565396-A METALLOCENE AND AN ORGANOALUMINOXANE COCATALYST FOR HOMO OR COPOLYMERIZING OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1996-10-15 US disclosed
US-5563284-A COORDINATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1996-10-08 US disclosed
US-5554795-A Process for preparing cyclopentadienyl-type ligands PHILLIPS PETROLEUM COMPANY (US) 1996-09-10 US disclosed
EP-0399347-B1 Process for preparing a Syndio-isoblockpolymer HOECHST AG (DE) 1996-08-14 EP disclosed
EP-0399347-A2 Process for preparing a Syndio-isoblockpolymer HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-28 EP disclosed