SCHEMBL7002949

SCHEMBL7002949

C=CCC(S)CC=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
Hydrochloric Acid SCHEMBL11883419 0.96
Bromide SCHEMBL2511822 0.96
SCHEMBL11086997 0.85
SCHEMBL11667211 0.81
SCHEMBL2162732 0.81
SCHEMBL7766671 0.81
SCHEMBL3694420 0.78
SCHEMBL3683110 0.77
SCHEMBL10911277 0.77
SCHEMBL11773877 0.73

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
US-6579997-B1 Enhanced activity of metal complexes UAB RESEARCH FOUNDATION 2003-06-17 US claimed
EP-1212134-A4 METALLACROWN ETHER CATALYSTS FOR HYDROFORMYLATION UAB RESEARCH FOUNDATION (US) 2003-01-22 EP claimed
EP-1212134-A1 METALLACROWN ETHER CATALYSTS FOR HYDROFORMYLATION UAB Research Foundation (US) 2002-06-12 EP claimed
EP-1066236-A4 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE RES FOUNDATION OF (US) 2001-06-06 EP claimed
WO-2001007156-A1 METALLACROWN ETHER CATALYSTS FOR HYDROFORMYLATION UAB RESEARCH FOUNDATION (US) 2001-02-01 WO claimed
EP-1066236-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE The Research Foundation of State University of New York (US) 2001-01-10 EP claimed
WO-1999050214-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-10-07 WO claimed
US-5962744-A USING CATALYST COMPLEX CONTAINING TRANSITION METAL AND PHOSPHITE LIGAND THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-10-05 US claimed
US-10357762-B2 Mixed metal double salt ionic liquids with tunable acidity THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2019-07-23 US disclosed
US-20170209858-A1 MIXED METAL DOUBLE SALT IONIC LIQUIDS WITH TUNABLE ACIDITY THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2017-07-27 US disclosed
US-6579997-B1 Enhanced activity of metal complexes UAB RESEARCH FOUNDATION 2003-06-17 US disclosed
EP-1212134-A4 METALLACROWN ETHER CATALYSTS FOR HYDROFORMYLATION UAB RESEARCH FOUNDATION (US) 2003-01-22 EP disclosed
EP-1212134-A1 METALLACROWN ETHER CATALYSTS FOR HYDROFORMYLATION UAB Research Foundation (US) 2002-06-12 EP disclosed
EP-1066236-A4 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE RES FOUNDATION OF (US) 2001-06-06 EP disclosed
WO-2001007156-A1 METALLACROWN ETHER CATALYSTS FOR HYDROFORMYLATION UAB RESEARCH FOUNDATION (US) 2001-02-01 WO disclosed
EP-1066236-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE The Research Foundation of State University of New York (US) 2001-01-10 EP disclosed
WO-1999050214-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-10-07 WO disclosed
US-5962744-A USING CATALYST COMPLEX CONTAINING TRANSITION METAL AND PHOSPHITE LIGAND THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-10-05 US disclosed