SCHEMBL1214540

SCHEMBL1214540

C[CH]COC(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
SCHEMBL271027 0.79 ALDH1A1 (0.50)
SCHEMBL74779 0.79 ALDH1A1 (0.50)
SCHEMBL6657380 0.79 ALDH1A1 (0.50)
SCHEMBL221749 0.79 ALDH1A1 (0.50)
SCHEMBL137826 0.78
SCHEMBL280688 0.78
SCHEMBL469873 0.78
SCHEMBL2888177 0.77
SCHEMBL6175555 0.77
SCHEMBL208358 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324273-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US claimed
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 US claimed
WO-2008079387-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-07-03 WO claimed
EP-1572657-B1 PROCESSES FOR PREPARING QUINOLONECARBOXYLATE DERIVATIVES YUHAN CORP (KR) 2007-07-11 EP claimed
EP-1796685-A1 PYRIDOXAL-5´-PHOSPHATE AND RELATED COMPOUNDS IN COMBINATION WITH THERAPEUTIC CADIOVASCULAR COMPOUNDS FOR TREATING ANGINA. Medicure International Inc. (CA) 2007-06-20 EP claimed
US-7220861-B2 Processes for preparing quinolonecarboxylate derivatives YUHAN CORPORATION (KR) 2007-05-22 US claimed
WO-2006058411-A1 PYRIDOXAL-5´-PHOSPHATE AND RELATED COMPOUNDS IN COMBINATION WITH THERAPEUTIC CADIOVASCULAR COMPOUNDS FOR TREATING ANGINA. MEDICURE INTERNATIONAL INC. (CA) 2006-06-08 WO claimed
US-20060058528-A1 Processes for preparing quinolone carboxylate derivatives YUHAN CORPORATION (KR) 2006-03-16 US claimed
EP-1572657-A4 PROCESSES FOR PREPARING QUINOLONECARBOXYLATE DERIVATIVES YUHAN CORP (KR) 2006-03-01 EP claimed
EP-1572657-A1 PROCESSES FOR PREPARING QUINOLONECARBOXYLATE DERIVATIVES Yuhan Corporation (KR) 2005-09-14 EP claimed
WO-2004056781-A1 PROCESSES FOR PREPARING QUINOLONECARBOXYLATE DERIVATIVES YUHAN CORPORATION (KR) 2004-07-08 WO claimed
EP-0521550-B1 Vitamin D compound, method of preparing this compound and intermediate therefor DUPHAR INT RES (NL) 1996-09-18 EP claimed
EP-0178743-B1 NOVEL TRITIUM LABELLED N-MUSTARD TYPE COMPOUNDS AND A PROCESS FOR THEIR PRODUCTION UNIVERSITY OF PITTSBURGH (US) 1990-05-23 EP claimed
US-4795627-A AZIRIDINIUM ANALOG USED TO EVALUATE THE MECHANISM OF NEUROTRANSMITTER REGULATION UNIVERSITY OF PITTSBURGH (US) 1989-01-03 US claimed
EP-0178743-A2 Novel tritium labelled N-mustard type compounds and a process for their production UNIVERSITY OF PITTSBURGH (US) 1986-04-23 EP claimed
WO-2022071387-A1 POLARIZING FILM, OPTICAL FILM, AND IMAGE DISPLAY DEVICE 日東電工株式会社 2022-04-07 WO disclosed
US-9921498-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2018-03-20 US disclosed
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed
US-4252718-A Continuous azo coupling process IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-02-24 US disclosed
US-4211696-A Disperse monoazo dyestuffs derived from 3,5-dinitro-2-amino thiophene as disazo component and an arylamine coupling component IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-08 US disclosed