SCHEMBL8612466

SCHEMBL8612466

CCC1=C(C)C(O)CC1=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
SCHEMBL8612468 1.00
SCHEMBL8924335 0.83
SCHEMBL2398157 0.79 ALDH1A1 (0.37)
SCHEMBL10629094 0.79 ALDH1A1 (0.37)
SCHEMBL11669117 0.78
SCHEMBL8660891 0.78
SCHEMBL8664977 0.78
SCHEMBL8664972 0.78
SCHEMBL8660887 0.78
SCHEMBL10631375 0.78 PTGS1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5550258-A INSECTICIDES, MITICIDES, NEMATOCIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-08-27 US 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
US-4729953-A 4-CYCLOPENTENONE ESTER, HYDROLYSIS, ENZYME OR MICROORGANISM, REARRANGEMENTS, CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-08 US disclosed
US-4515768-A STABILIZER AGAINST THERMAL DECOMPOSITION AIRWICK INDUSTRIES, INC. (US) 1985-05-07 US disclosed
EP-0115860-A2 Optically active 4-hydroxy-2-cyclopentenones, and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP disclosed
EP-0037375-B1 INSECTICIDAL-VAPOURS EMITTING DEVICE Airwick AG (CH) 1984-05-23 EP disclosed
EP-0036385-B1 INSECTICIDAL VAPOUR-EMITTING COMPOSITIONS ON THE BASIS OF PYRETHRINOIDS Airwick AG (CH) 1984-05-02 EP disclosed
US-4439415-A PYRETHRINOID AND ABSORPTIVE SUBSTRATE AIRWICK INDUSTRIES, INC. (US) 1984-03-27 US disclosed
EP-0010761-B1 PROCESS FOR PREPARING 4-HYDROXY-2-CYCLOPENTEN-I-ONES, 2-METHYL-2,5-DIMETHOXY-2,5-DIHYDROFURANS AND A PROCESS FOR THEIR PREPARATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-13 EP disclosed
EP-0037375-A1 Insecticidal-vapours emitting device Airwick AG (CH) 1981-10-07 EP disclosed
EP-0036385-A2 Insecticidal vapour-emitting compositions on the basis of pyrethrinoids Airwick AG (CH) 1981-09-23 EP disclosed
US-4282372-A Process for producing cyclopentenolones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-08-04 US disclosed
EP-0010761-A1 Process for preparing 4-hydroxy-2-cyclopenten-I-ones, 2-methyl-2,5-dimethoxy-2,5-dihydrofurans and a process for their preparation SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-14 EP disclosed