SCHEMBL2928653

SCHEMBL2928653

O=S(=O)=C1C=C(P(C2=CC(=S(=O)=O)CC=C2)C2=CC(=S(=O)=O)CC=C2)C=CC1

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
SCHEMBL9153979 0.71
SCHEMBL6530659 0.71
SCHEMBL8132463 0.68
SCHEMBL1023491 0.62
SCHEMBL1028200 0.59
Bromoform SCHEMBL3129174 0.56
SCHEMBL11168040 0.53
SCHEMBL6580989 0.50
SCHEMBL7282901 0.50
SCHEMBL1628794 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532095-B1 METHOD FOR PRODUCING ALDEHYDES BY MEANS OF HYDROFORMYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS, SAID HYDROFORMYLATION BEING CATALYSED BY UNMODIFIED METAL COMPLEXES IN THE PRESENCE OF CYCLIC CARBONIC ACID ESTERS EVONIK OXENO GMBH (DE) 2010-01-27 EP disclosed
US-7193116-B2 Method for producing aldehydes by means of hydroformylation of olefinically unsaturated compounds, said hydroformylation being catalyzed by unmodified metal complexes in the presence of cyclic carbonic acid esters OXENO OLEFINCHEMIE GMBH (DE) 2007-03-20 US disclosed
US-20050209489-A1 Method for producing aldehydes by means of hydroformylation of olefinically unsaturated compounds, said hydroformylation being catalyzed by unmodified metal complexes in the presence of cyclic carbonic acid esters OXENO OLEFINCHEMIE GMBH (DE) 2005-09-22 US disclosed
EP-1532095-A1 METHOD FOR PRODUCING ALDEHYDES BY MEANS OF HYDROFORMYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS, SAID HYDROFORMYLATION BEING CATALYSED BY UNMODIFIED METAL COMPLEXES IN THE PRESENCE OF CYCLIC CARBONIC ACID ESTERS Oxeno Olefinchemie GmbH (DE) 2005-05-25 EP disclosed
WO-2004024661-A1 METHOD FOR PRODUCING ALDEHYDES BY MEANS OF HYDROFORMYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS, SAID HYDROFORMYLATION BEING CATALYSED BY UNMODIFIED METAL COMPLEXES IN THE PRESENCE OF CYCLIC CARBONIC ACID ESTERS OXENO OLEFINCHEMIE GMBH (DE) 2004-03-25 WO disclosed
US-6482992-B2 HYDROFORMYLATION OF OLEFINS TO ALCOHOLS AND/OR ALDEHYDES IN PRESENCE OF COBALT OR RHODIUM CATALYST; OXO SYNTHESIS OXENO OLEFINCHEMIE GMBH (DE) 2002-11-19 US disclosed
US-20020028974-A1 Multistage process for the preparation of oxo aldehydes and/or alcohols OXENO OLEFINCHEMIE GMBH (DE) 2002-03-07 US disclosed
EP-1172349-A2 Multi-step process for the preparation of oxo-aldehydes and/or alcohols Oxeno Olefinchemie GmbH (DE) 2002-01-16 EP disclosed
WO-2001043874-A1 ORGANIC POLYMERIC SUPPORTS WITH MONO- OR BI-DENTATE LIGANDS AND THEIR USE AS A SUPPORTED CATALYST SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 2001-06-21 WO disclosed