SCHEMBL4965167

SCHEMBL4965167

CC1=C(CC(F)(F)F)C(=O)CC1O

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
SCHEMBL8619047 1.00
SCHEMBL8663757 0.86
SCHEMBL8663548 0.82 ALOX15 (0.35)
SCHEMBL8663549 0.82 ALOX15 (0.35)
SCHEMBL8612457 0.78
SCHEMBL8612466 0.76
SCHEMBL8924335 0.76
SCHEMBL8612468 0.76
SCHEMBL8660887 0.76
SCHEMBL8660891 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817880-A 2-FLUOROALKYL-4-HYDROXYCYCLOPENT-2-ENONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-06 US claimed
EP-0688758-A1 Ester compound, agent for controlling noxious organisms containing the same as active ingredient, and production intermediate thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-12-27 EP claimed
EP-0845534-B1 Esterase gene and its use SUMITOMO CHEMICAL CO (JP) 2008-06-25 EP disclosed
EP-0846768-B1 Esterase gene and its use SUMITOMO CHEMICAL CO (JP) 2006-08-02 EP disclosed
US-6960460-B2 Nucleotide sequences coding enzymatic polypeptide for use in the generation insecticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-11-01 US disclosed
US-20030027295-A1 Esterase gene and its use SUMITOMO CHEMICAL CO., LTD. 2003-02-06 US disclosed
US-6514740-B1 Asymmetric hydrolysis of organic carboxylic acid ester of cyclopenteneolones; can be used as intermediates for drugs and insecticides; optical isomers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-02-04 US disclosed
US-6472189-B1 ESTERASE GENE CODING FOR AN ESTERASE CAPABLE OF CAUSING ASYMMETRIC HYDROLYSIS OF AN ORGANIC CARBOXYLIC ACID ESTER OF A CYCLOPENTENOLONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-29 US disclosed
US-6306634-B1 ISOLATED POLYNUCLEOTIDE CODING FOR AN ESTERASE CAPABLE OF CAUSING ASYMMETRIC HYDROLYSIS OF AN ORGANIC CARBOXYLIC ACID ESTER OF A CYCLOPENTENOLONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-10-23 US disclosed
US-6087145-A CODES FOR ENZYME CAPABLE OF ASYMMETRIC HYDROLYSIS OF ORGANIC CARBOXYLIC ACID ESTER OF A CYCLOPENTENOLONE; FOR RECOMBINANT PRODUCTION OF ENZYME TO PRODUCE OPTICALLY ACTIVE CHEMICAL INTERMEDIATES OF DRUGS AND AGRICULTURAL CHEMICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-07-11 US disclosed
US-5817880-A 2-FLUOROALKYL-4-HYDROXYCYCLOPENT-2-ENONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-06 US disclosed
EP-0846768-A2 Esterase gene and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-06-10 EP disclosed
EP-0845534-A2 Esterase gene and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-06-03 EP disclosed
EP-0643037-B1 Ester compound, active agent for controlling noxious insect pests containing the same as active ingredient, intermediate for production of the ester compound, and process for producing the intermediate SUMITOMO CHEMICAL CO (JP) 1998-05-06 EP disclosed
US-5672779-A INTERMEDIATE FOR PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-09-30 US disclosed
US-5653990-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-05 US disclosed
US-5550258-A INSECTICIDES, MITICIDES, NEMATOCIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-08-27 US disclosed
EP-0688758-A1 Ester compound, agent for controlling noxious organisms containing the same as active ingredient, and production intermediate thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-12-27 EP disclosed
EP-0643037-A1 Ester compound, active agent for controlling noxious insect pests containing the same as active ingredient, intermediate for production of the ester compound, and process for producing the intermediate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed