SCHEMBL6007182

SCHEMBL6007182

CCOC(=O)[C]C#N

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
SCHEMBL43934 0.79
Ethyl Acetate SCHEMBL27512242 0.74 ALDH1A1 (0.78)
SCHEMBL288480 0.73 ALDH1A1 (0.53)
SCHEMBL18446 0.73 ALDH1A1 (0.53)
Urethane SCHEMBL27746074 0.72 ALOX15 (0.79)
Ethyl Acetate SCHEMBL3254085 0.71 ALDH1A1 (0.64)
SCHEMBL3029208 0.70
SCHEMBL733363 0.70
SCHEMBL6007200 0.70
SCHEMBL23234042 0.70

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709039-A1 METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS Lanxess Deutschland GmbH (DE) 2006-10-11 EP claimed
WO-2005068459-A1 METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS LANXESS DEUTSCHLAND GMBH (DE) 2005-07-28 WO claimed
EP-0157492-B1 ELECTRON TRANSPORTING COMPOUNDS, ELECTROPHOTOGRAPHIC LAYERS AND ELEMENTS COMPRISING SUCH COMPOUNDS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-06-01 EP claimed
EP-0157492-A2 Electron transporting compounds, electrophotographic layers and elements comprising such compounds EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-10-09 EP claimed
US-4514481-A 4H-Thiopyran-1,1-dioxide and electrophotographic layers and elements comprising same EASTMAN KODAK COMPANY (US) 1985-04-30 US claimed
EP-1709039-A1 METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS Lanxess Deutschland GmbH (DE) 2006-10-11 EP disclosed
WO-2005068459-A1 METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS LANXESS DEUTSCHLAND GMBH (DE) 2005-07-28 WO disclosed
EP-0157492-B1 ELECTRON TRANSPORTING COMPOUNDS, ELECTROPHOTOGRAPHIC LAYERS AND ELEMENTS COMPRISING SUCH COMPOUNDS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-06-01 EP disclosed
EP-0157492-A2 Electron transporting compounds, electrophotographic layers and elements comprising such compounds EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-10-09 EP disclosed
US-4514481-A 4H-Thiopyran-1,1-dioxide and electrophotographic layers and elements comprising same EASTMAN KODAK COMPANY (US) 1985-04-30 US disclosed