SCHEMBL4484567

SCHEMBL4484567

CC(CC[O-])CC1=CC=CC1.CC(CC[O-])CC1=CC=CC1.C[Ti+2]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
SCHEMBL11434784 0.78
SCHEMBL9299372 0.77 TRPA1 (0.34)
SCHEMBL28442444 0.74 OPRM1 (0.33)
SCHEMBL28442961 0.72 ACE2 (0.33)
SCHEMBL412042 0.71
SCHEMBL15533526 0.71
SCHEMBL9134075 0.69
SCHEMBL27414895 0.69
SCHEMBL27656765 0.69
SCHEMBL15022385 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569646-B1 Group IVB transition metal compounds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-08-04 US disclosed
US-7205364-B1 Olefin polymerization catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-04-17 US disclosed
US-20060178491-A1 Olefin polymerization catalysts CANICH JO ANN M 2006-08-10 US disclosed
EP-0551277-B2 ALUMINUM-FREE MONOCYCLOPENTADIENYL METALLOCENE CATALYSTS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2005-03-09 EP disclosed
US-6617466-B1 Having a heteroatom ligand containing an element with a coordination number of three from Group V A or a coordination number of two from Group VI A attached to the ring through a hydrocarbylene, silane or germanium group EXXONMOBIL CHEMICAL PATENTS INC. 2003-09-09 US disclosed
EP-0618931-B2 A MODIFIED MONOCYCLOPENTADIENYL TRANSITION METAL/ALUMOXANE CATALYST SYSTEM FOR POLYMERIZATION OF OLEFINS EXXON CHEMICAL PATENTS INC (US) 2000-11-02 EP disclosed
EP-0548257-B2 SUPPORTED MONOCYCLOPENTADIENYL TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EXXON CHEMICAL PATENTS INC (US) 2000-10-04 EP disclosed
EP-0420436-B2 Olefin polymerization catalysts EXXON CHEMICAL PATENTS INC (US) 2000-07-19 EP disclosed
US-5844055-A Ethylene/branched olefin copolymers EXXON CHEMICAL PATENTS INC. (US) 1998-12-01 US disclosed
EP-0641362-B1 ETHYLENE/BRANCHED OLEFIN COPOLYMERS EXXON CHEMICAL PATENTS INC (US) 1998-11-11 EP disclosed
WO-1993013140-A1 A MODIFIED MONOCYCLOPENTADIENYL TRANSITION METAL/ALUMOXANE CATALYST SYSTEM FOR POLYMERIZATION OF OLEFINS EXXON CHEMICAL PATENTS INC. (US) 1993-07-08 WO disclosed
EP-0548257-A1 SUPPORTED MONOCYCLOPENTADIENYL TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS. EXXON CHEMICAL PATENTS INC (US) 1993-06-30 EP disclosed
WO-1993012151-A1 ETHYLENE/LONGER ALPHA-OLEFIN COPOLYMERS EXXON CHEMICAL PATENTS INC. (US) 1993-06-24 WO disclosed
EP-0491842-A1 MONOCYCLOPENTADIENYL TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS. EXXON CHEMICAL PATENTS INC (US) 1992-07-01 EP disclosed
WO-1992005203-A1 SUPPORTED MONOCYCLOPENTADIENYL TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 1992-04-02 WO disclosed
US-5096867-A Polymer products of high molecular weight and narrow molecular weight distribution using small amounts of an alumoxane with the titanium complex EXXON CHEMICAL PATENTS INC. (US) 1992-03-17 US disclosed
US-5057475-A Mono-Cp heteroatom containing group IVB transition metal complexes with MAO: supported catalyst for olefin polymerization EXXON CHEMICAL PATENTS INC. (US) 1991-10-15 US disclosed
US-5055438-A Using Group 4B metallocene and alumoxane cocatalysts; high molecular weight polymers with narrow weight distribution EXXON CHEMICAL PATENTS, INC. (US) 1991-10-08 US disclosed
WO-1991004257-A1 MONOCYCLOPENTADIENYL TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 1991-04-04 WO disclosed
EP-0420436-A1 Olefin polymerization catalysts EXXON CHEMICAL PATENTS INC. (US) 1991-04-03 EP disclosed