SCHEMBL910100

SCHEMBL910100

C[C]1C(C)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
SCHEMBL23234608 0.60
SCHEMBL960190 0.60
SCHEMBL2492963 0.58
SCHEMBL2492960 0.58
SCHEMBL19023133 0.58
SCHEMBL19023132 0.58
SCHEMBL9246880 0.57
SCHEMBL12045271 0.55
SCHEMBL104998 0.53
SCHEMBL17581107 0.53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220242835-A1 ISOXAZOLINE COMPOUNDS AND USE THEREOF Metisa Biotechnology Co., Ltd (CN) 2022-08-04 US claimed
WO-2004039827-A2 GLUCOCORTICOSTEROIDS HAVING A SPECIFIC 17A-SIDECHAIN USEFUL AS ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2004-05-13 WO claimed
WO-2003048181-A1 17.ALPHA. -CYCLIC ESTERS OF 16-METHYLPREGNAN-3,20-DIONE AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2003-06-12 WO claimed
EP-0143152-A2 Insecticidal (1,1'-biphenyl)-3-ylmethyl esters, their production and use and compositions containing them FMC Corporation (US) 1985-06-05 EP claimed
EP-0026542-B1 PREPARATION OF ESTERS CONTAINING AN ALPHA CYANO GROUP IN THE ALCOHOL PORTION OF THE ESTER FMC Corporation (US) 1982-12-15 EP claimed
US-4151290-A Fungicidal 1-cycloalkylcarbonyl-3-(3,5-dihalophenyl)imidazolidine-2,4-diones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-04-24 US claimed
US-4151293-A MITICIDES ABBOTT LABORATORIES (US) 1979-04-24 US claimed
JP-57126469-A None JP disclosed
EP-4045095-B1 IRON (III) COMPLEXES WITH NOVEL CONTRAST PROPERTIES FOR MAGNETIC RESONANCE IMAGING UNIV BERLIN CHARITE (DE) 2023-08-02 EP disclosed
WO-2022008639-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-01-13 WO disclosed
EP-3808381-A1 IRON (III) COMPLEXES WITH NOVEL CONTRAST PROPERTIES FOR MAGNETIC RESONANCE IMAGING Charité - Universitätsmedizin Berlin (DE) 2021-04-21 EP disclosed
US-10907163-B1 Aptamers that bind to natural and synthetic cannabinoids THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2021-02-02 US disclosed
EP-3762438-A1 BIOCIDAL COATING MATERIAL AND ASSOCIATED PRODUCTION PROCESS El Kudsi, Karim (DE) 2021-01-13 EP disclosed
EP-0347693-A1 Benzonitriles, benzaldehydes and benzyl alcohols, and processes for their production BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
EP-0161543-B1 HALOVINYLBENZYL ESTERS, THEIR PREPARATION AND USE AS PESTICIDES BASF Aktiengesellschaft (DE) 1988-03-02 EP disclosed
US-4611010-A INSECTICIDE, MITICIDE BASF AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
EP-0161543-A1 Halovinylbenzyl esters, their preparation and use as pesticides BASF Aktiengesellschaft (DE) 1985-11-21 EP disclosed
JP-S57126469-A CARBOXYLIC ESTER MITSUBISHI CHEM IND LTD 1982-08-06 JP disclosed
US-4151290-A Fungicidal 1-cycloalkylcarbonyl-3-(3,5-dihalophenyl)imidazolidine-2,4-diones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-04-24 US disclosed
US-4151290-A Fungicidal 1-cycloalkylcarbonyl-3-(3,5-dihalophenyl)imidazolidine-2,4-diones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-04-24 US disclosed