SCHEMBL9255575

SCHEMBL9255575

CC(C)(C)COP([O])(=O)OCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL599835 0.79 TSHR (0.45) CYP2C19TP53TDP1TSHR
SCHEMBL3913953 0.78 CYP2C19 (0.35) CYP2C19TP53TDP1
SCHEMBL9264971 0.78 CYP2C19 (0.35) CYP2C19TP53TDP1
SCHEMBL2782186 0.77 TP53 (0.39) CYP2C19TP53TDP1TSHR
SCHEMBL9961561 0.77 CYP2C19 (0.38) CYP2C19TP53TDP1TSHR
SCHEMBL10509715 0.77 CYP2C19 (0.38) CYP2C19TP53TDP1TSHR
SCHEMBL9909518 0.77 TP53 (0.52) CYP2C19TP53TDP1TSHR
SCHEMBL2472181 0.74 ALDH1A1 (0.37) CYP2C19TP53TDP1TSHR
SCHEMBL2470417 0.74 LPAR3 (0.39) CYP2C19TDP1
SCHEMBL3628446 0.74 CYP2C19 (0.36) CYP2C19TP53TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439252-B2 Electrolyte solution for electrochemical device, and electrochemical device FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-08 US disclosed
US-20150364792-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-17 US disclosed
US-5391564-A E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents SANKYO COMPANY, LIMITED (JP) 1995-02-21 US disclosed
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US disclosed
EP-0350315-B1 RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS SANKYO COMPANY LIMITED (JP) 1993-06-16 EP disclosed
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP disclosed