SCHEMBL9348124

SCHEMBL9348124

O=[C]CC(=O)C=O

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
SCHEMBL253538 0.73
SCHEMBL16114909 0.73
SCHEMBL5308018 0.68
SCHEMBL9949606 0.65
SCHEMBL570228 0.65
SCHEMBL28241580 0.62
SCHEMBL168238 0.62
SCHEMBL11843414 0.62
SCHEMBL5909 0.62
SCHEMBL903230 0.60

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410390-A Preparation method of organic phosphine ligand polymer and bidentate phosphine ligand copolymer catalyst 中国石油天然气股份有限公司 2023-07-11 CN disclosed
WO-2023125073-A1 METHODS FOR PREPARING ORGANIC PHOSPHINE LIGAND POLYMER AND BIDENTATE PHOSPHINE LIGAND COPOLYMER CATALYST 中国石油天然气股份有限公司 2023-07-06 WO disclosed
EP-0414207-B1 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO LTD (JP) 1994-08-03 EP disclosed
EP-0374850-B1 Method for preparing alpha-(4-isobutylphenyl)propionic acid or its precursor NIPPON PETROCHEMICALS CO LTD (JP) 1994-03-09 EP disclosed
US-5260477-A Multistage process of catalytic dehydrogenation and reaction with carbon monoxide then hydrogenation NIPPON PETROCHEMICALS CO., LTD. (JP) 1993-11-09 US disclosed
EP-0347939-B1 METHOD FOR PREPARING ALPHA-(4-ISOBUTYLPHENYL) PROPIONIC ACID OR ITS PRECURSOR NIPPON PETROCHEMICALS CO., LTD. (JP) 1993-08-25 EP disclosed
US-5218144-A Hydrocarboxylation of pentanoic compounds; iridium catalyst, E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-08 US disclosed
US-5166419-A Multistage reaction by catalytic dehydrogenation and reaction with carbon monoxide NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-11-24 US disclosed
US-5097061-A From isobutylbenzene and ethylene, dehydrogenation, carboxylation of the p-isobutylstyrene product, catalytic NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-03-17 US disclosed
EP-0448848-A1 Hydroformylation of olefins ENIRICERCHE S.p.A. (IT) 1991-10-02 EP disclosed
EP-0414207-A2 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1991-02-27 EP disclosed
EP-0374850-A1 Method for preparing alpha-(4-isobutylphenyl)propionic acid or its precursor NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-06-27 EP disclosed
EP-0347939-A1 Method for preparing alpha-(4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1989-12-27 EP disclosed
EP-0279018-A1 Chelate ligands for low pressure hydroformylation catalyst and process employing same EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-08-24 EP disclosed
US-4687874-A Selective hydroformylation process using alkyl diaryl phosphine rhodium carbonyl hydride catalysts EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-08-18 US disclosed
US-4668809-A ALKYL DIARYLPHOSPHINE RHODIUM CARBONYL HYDRIDES, HYDROFORMYLATION, OLEFINS EXXON RESEARCH AND ENGINEERING (US) 1987-05-26 US disclosed
US-4595753-A Nitrogen heterocycle substituted EXXON RESEARCH AND ENGINEERING CO. (US) 1986-06-17 US disclosed
EP-0131998-A1 Process for the preparation of ethanol and/or ethyl acetate SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-01-23 EP disclosed