SCHEMBL11124653

SCHEMBL11124653

CC(C)OCC([O])=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
SCHEMBL56720 0.77
SCHEMBL48977 0.77
SCHEMBL3304660 0.74
SCHEMBL2741637 0.74 TSHR (0.33)
SCHEMBL1291036 0.74
SCHEMBL1287173 0.74
SCHEMBL7762904 0.74 LMNA (0.57)
SCHEMBL16166922 0.72
SCHEMBL8381218 0.72
SCHEMBL30352647 0.72 OR51E2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2738862-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICES Wako Pure Chemical Industries, Ltd. (JP) 2014-06-04 EP disclosed
EP-1270581-B1 Blocked mercaptosilane coupling agents for filled rubbers MOMENTIVE PERFORMANCE MAT INC (US) 2014-02-19 EP disclosed
CN-1285830-A Pyridylpyrrole derivatives SANKYO CO (JP) 2001-02-28 CN disclosed
CN-1232461-A Neuraminic acid compounds SANKYO CO (JP) 1999-10-20 CN disclosed
US-4415494-A BLUE-TO-BLACK COLORFAST DISPERSE, NITRO DYES; DIAZOTIZING A P-NITROANILINE AND COUPLING WITH AN N-SUBSTITUTED 1-NAPHTHYLAMINE CASSELLA AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
EP-0036545-A1 Water insoluble monoazo dyes, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1981-09-30 EP disclosed
US-4099972-A DIFFUSION TRANSFER MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-11 US disclosed