SCHEMBL57171

SCHEMBL57171

CC1(C)C([C]=O)C1(C)C

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
SCHEMBL7743496 0.74
SCHEMBL7201138 0.57
SCHEMBL104998 0.49
SCHEMBL9580055 0.49
SCHEMBL1561 0.45
SCHEMBL2552774 0.45
Carbon Dioxide SCHEMBL1273952 0.45
SCHEMBL25405176 0.42
Carbon Dioxide SCHEMBL22344827 0.42
SCHEMBL224443 0.42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110256285-B Synthetic method of stable isotope labeled pyrethroid 上海出入境检验检疫局动植物与食品检验检疫技术中心 2022-03-18 CN claimed
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
EP-2763987-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS BAYER CROPSCIENCE AG (DE) 2018-07-18 EP claimed
US-9023844-B2 Heterocyclylpyri (mi) dinylpyrazole as fungicidals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-05 US claimed
US-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US claimed
EP-2763987-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS Bayer Intellectual Property GmbH (DE) 2014-08-13 EP claimed
WO-2013050437-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 WO claimed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-0062659-A1 3-(PYRROL-1-YL)PHENYLMETHYL ESTERS AND INTERMEDIATES FMC Corporation (US) 1982-10-20 EP claimed
WO-1982002321-A1 (+)-4-SUBSTITUTED-2-INDANOLS AND INSECTICIDAL ESTER DERIVATIVES FMC CORP (US) 1982-07-22 WO claimed
US-4339457-A OF CYCLOPROPANECARBOXYLIC ACIDS, INSECTICIDES, MITICIDES FMC CORPORATION (US) 1982-07-13 US claimed
US-4333950-A MITICIDES FMC CORPORATION (US) 1982-06-08 US claimed
WO-1982001368-A1 3-(PYRROL-1-YL)PHENYLMETHYL ESTERS AND INTERMEDIATES FMC CORP (US) 1982-04-29 WO claimed
US-4317825-A WATER SOLUBILITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-03-02 US claimed
US-4263319-A CYCLOPROPYL ESTERS FMC CORPORATION (US) 1981-04-21 US claimed
EP-0024172-A1 Antitumor and immunosuppressive 4-carbamoylimidazolium-5-olate derivatives, pharmaceutical composition and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-02-25 EP claimed
US-4239773-A Insecticidal esters of certain substituted 7-oxabicyclo[2.2.1]2,5-heptadiene methanols FMC CORPORATION (US) 1980-12-16 US claimed
EP-0014593-A1 Novel bicyclic alcohol and insecticidal ester derivatives, their production, and compositions containing and insecticidal methods using the esters FMC Corporation (US) 1980-08-20 EP claimed