SCHEMBL4390936

SCHEMBL4390936

C[CH]OC(=O)OC(C)OC

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
SCHEMBL984063 0.80 TSHR (0.36)
SCHEMBL72027 0.78
SCHEMBL577005 0.78
SCHEMBL4393312 0.77 LMNA (0.42)
SCHEMBL344277 0.76
SCHEMBL63036 0.75
SCHEMBL22556039 0.74 SMN1; SMN2 (0.35)
SCHEMBL16809088 0.73 TSHR (0.43)
SCHEMBL4851079 0.71
SCHEMBL4396886 0.71 HTT (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196537-A2 Water insoluble red monoazo dyes, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-10-08 EP claimed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
US-20060128823-A1 Radiation curable inkjet recording ink, and method of producing planographic printing plate using same, and ink composition, inkjet recording method, printed material, method of producing a planographic printing plate, and planographic printing plate FUJI PHOTO FILM CO., LTD. 2006-06-15 US disclosed
US-4769449-A Red mono-azo water-soluble dye containing cyano, amide and amino substituents CASSELLA AKTIENGESELLSCHAFT (DE) 1988-09-06 US disclosed
US-4707546-A Reactive monoazo dyestuffs MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-11-17 US disclosed
EP-0108570-B1 DISAZO DYESTUFFS FOR CELLULOSE-CONTAINING FIBRES AND PROCESS FOR PREPARING THE DYESTUFF MITSUBISHI KASEI CORPORATION (JP) 1986-10-29 EP disclosed
EP-0196537-A2 Water insoluble red monoazo dyes, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-10-08 EP disclosed
EP-0196537-A2 Water insoluble red monoazo dyes, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-10-08 EP disclosed
EP-0121825-B1 MONOAZO DYESTUFFS FOR CELLULOSE-CONTAINING FIBERS MITSUBISHI KASEI CORPORATION (JP) 1986-09-10 EP disclosed
EP-0131314-A1 Reactive monoazo dyestuffs MITSUBISHI KASEI CORPORATION (JP) 1985-01-16 EP disclosed
EP-0121825-A1 Monoazo dyestuffs for cellulose-containing fibers MITSUBISHI KASEI CORPORATION (JP) 1984-10-17 EP disclosed
EP-0108570-A2 Disazo dyestuffs for cellulose-containing fibres and process for preparing the dyestuff MITSUBISHI KASEI CORPORATION (JP) 1984-05-16 EP disclosed
US-4313731-A Mono-azo compound, mono-azo dye and dyeing process for polyester fibers MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1982-02-02 US disclosed