SCHEMBL2235523

SCHEMBL2235523

CC(C)(C)C(O)C=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
SCHEMBL15658012 0.78
SCHEMBL31409405 0.71
SCHEMBL31409432 0.71
SCHEMBL4257796 0.71
SCHEMBL14659147 0.69
SCHEMBL30685402 0.69
SCHEMBL16431979 0.69
SCHEMBL7154734 0.69
SCHEMBL489439 0.69
SCHEMBL5382389 0.68 AKR1B1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
CN-103858269-B Electrolyte solution for electrochemical devices 和光纯药工业株式会社 2017-02-15 CN disclosed
US-9263767-B2 Electrolyte solution for electrochemical devices WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-16 US disclosed
US-20140162143-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICES WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-06-12 US disclosed
CN-103858269-A Electrolyte solution for electrochemical devices WAKO PURE CHEM IND LTD 2014-06-11 CN disclosed
EP-2738862-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICES Wako Pure Chemical Industries, Ltd. (JP) 2014-06-04 EP disclosed
US-8003913-B2 Base plate with electrodes, process for producing the same, and electro-optical device FUJIFILM CORPORATION (JP) 2011-08-23 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
US-20060262375-A1 Base plate with electrodes, process for producing the same, and electro-optical device FUJI PHOTO FILM CO., LTD. 2006-11-23 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
EP-0107366-A1 Pyrrolidinone analogs and precursors ELI LILLY AND COMPANY (US) 1984-05-02 EP disclosed