SCHEMBL828245

SCHEMBL828245

CCCCOC(C)O[C]=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
DNM1 Q05193 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
ATM Q13315 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL4401498 0.94 DNM1 (0.39) DNM1ALDH1A1CA1CA2CNR1
SCHEMBL5690794 0.92 DNM1 (0.42) DNM1CA1CA2
SCHEMBL4397723 0.90 CYP3A4 (0.30) CYP3A4
SCHEMBL4397726 0.88 TSHR (0.41) CYP3A4SMN1; SMN2
SCHEMBL3366779 0.86
SCHEMBL4396256 0.84 DNM1 (0.36) DNM1ALDH1A1CA1CA2CNR1
SCHEMBL4389397 0.83 DNM1 (0.39) DNM1ALDH1A1CA1CA2CNR1
SCHEMBL4396262 0.83 HTT (0.41) CYP3A4DNM1
SCHEMBL4389399 0.81 HTT (0.44) CYP3A4DNM1
SCHEMBL4396228 0.79 HSD17B10 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352774-A Colorfast blue dyes for plastics and synthetic fibers SANDOZ AG (CH) 1994-10-04 US claimed
US-4268671-A PERINONE DYES USED FOR DYEING POLYESTERS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1981-05-19 US claimed
WO-2024101411-A1 CURABLE COMPOSITION FOR ORGANIC EL ELEMENTS, CURED PRODUCT FOR ORGANIC EL ELEMENTS AND METHOD FOR PRODUCING SAME, ORGANIC EL ELEMENT, AND POLYMER JSR株式会社 2024-05-16 WO disclosed
CN-117590689-A Radiation-sensitive composition, cured film, method for producing same, display device, and curable resin composition JSR株式会社 2024-02-23 CN disclosed
CN-117148680-A Radiation-sensitive composition, cured film, method for producing cured film, liquid crystal display device, and organic EL display device JSR株式会社 2023-12-01 CN disclosed
US-11744782-B2 Separately packed curable composition MITSUI CHEMICALS, INC. (JP) 2023-09-05 US disclosed
CN-115963697-A Radiation-sensitive composition, cured film, method for producing cured film, and display device JSR株式会社 2023-04-14 CN disclosed
CN-115704995-A Curable composition, cured film and application thereof, method for producing cured film, and polymer JSR株式会社 2023-02-17 CN disclosed
CN-115433591-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, polymer and method for producing same JSR株式会社 2022-12-06 CN disclosed
CN-115268214-A Radiation-sensitive composition, cured film and method for producing the same, semiconductor and display device JSR株式会社 2022-11-01 CN disclosed
CN-115197719-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, and method for producing same JSR株式会社 2022-10-18 CN disclosed
EP-0839808-A1 Pyrazole derivatives, processes for their preparation, and their use as herbicides Novartis AG (CH) 1998-05-06 EP disclosed
EP-0832070-A1 NOVEL HERBICIDES Novartis AG (CH) 1998-04-01 EP disclosed
US-5731267-A Pyrazole herbicides NOVARTIS CORPORATION (US) 1998-03-24 US disclosed
EP-0796856-A1 Herbicidal, active (dihydro-)benzofuranyl substituted compounds Novartis AG (CH) 1997-09-24 EP disclosed
EP-0782164-A1 Plasma display filter MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-07-02 EP disclosed
WO-1997000246-A1 NOVEL HERBICIDES NOVARTIS AG (CH) 1997-01-03 WO disclosed
US-4646309-A EMISSION AT A SPECIFIC WAVELENGTH JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1987-02-24 US disclosed
US-4621136-A Phenyl azo cyanothienyl azo anilino dyestuffs MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1986-11-04 US disclosed
US-4453252-A A PYRAZOLOAZAXANTHENOISOQUINOLINONE DYE MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1984-06-05 US disclosed