SCHEMBL513803

SCHEMBL513803

O=[C]OCC=CF

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
SCHEMBL513802 1.00
SCHEMBL7019591 0.74
SCHEMBL7019592 0.74
SCHEMBL97426 0.72
SCHEMBL2961645 0.72
SCHEMBL514442 0.72
SCHEMBL2961643 0.72
SCHEMBL514443 0.72
SCHEMBL97427 0.72
SCHEMBL5828905 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-102015718-B 1- (7-(hexahydropyrrolo [3, 4-C] pyrrol-2 (1H) -yl) quin0lin-4-yl) -3- (pyrazin-2-yl) urea derivatives and related compounds as glycogen synthase kinase 3 (GSK-3) ABBOTT GMBH & CO KG 2014-12-10 CN disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 EP disclosed
CN-102388034-A Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBOTT GMBH & CO KG 2012-03-21 CN disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-20060258729-A1 Antibacterial pyrazole carboxylic acid hydrazides MICROBIOTIX, INC. 2006-11-16 US disclosed
WO-2004094370-A2 ANTIBACTERIAL PYRAZOLE CARBOXYLIC ACID HYDRAZIDES MICROBIOTIX, INC. (US) 2004-11-04 WO disclosed
EP-1401829-A4 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2004-10-27 EP disclosed
US-20040171635-A1 Novel tropane esters and methods for producing and using them ENTROPIN, INC. 2004-09-02 US disclosed
US-6777420-B2 A URACIL COMPOUNDS AS ENZYME INHIBITORS, INHIBIT BACTERIAL DNA POLYMERASE, TREATING BACTERIAL DISEASES MICROBIOTIX, INC. 2004-08-17 US disclosed
WO-2004052888-A2 TROPANE ESTERS AND METHODS FOR PRODUCING AND USING THEM ENTROPIN, INC. (US) 2004-06-24 WO disclosed
EP-1401829-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS Microbiotix, Inc. (US) 2004-03-31 EP disclosed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 US disclosed
WO-2002102792-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX, INC. (US) 2002-12-27 WO disclosed
US-6211395-B1 INTERMEDIATES IN THE PREPARATION OF CERTAIN PYRIDO(1,2-A)PYRIMIDINE AND QUINOLONE ANTIBACTERIAL AGENTS ABBOTT LABORATORIES 2001-04-03 US disclosed
US-6197974-B1 CATALYTIC REDUCTION OF KETO B-ESTER; SULFONATION, CYCLIZATION, LACTAMIZATION, ACTIVATION, DEBLOCKING ABBOTT LABORATORIES 2001-03-06 US disclosed