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SCHEMBL17048266

SCHEMBL17048266

COC(=O)/C=C/C(=O)OCC(COC(=O)/C=C/C(=O)OCC(COC(=O)/C=C/C(=O)OC)OC(=O)/C=C/C(=O)OC)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34

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
SCHEMBL17048269 0.95 HCAR2 (0.36) HCAR2KEAP1NFE2L2
SCHEMBL17048413 0.95 HCAR2 (0.36) HCAR2KEAP1NFE2L2
SCHEMBL20981993 0.95 HCAR2 (0.36) HCAR2KEAP1NFE2L2
SCHEMBL17048371 0.95 HCAR2 (0.36) HCAR2KEAP1NFE2L2
SCHEMBL17048385 0.90 PRKCA (0.38) HCAR2KEAP1NFE2L2
SCHEMBL15824042 0.81 HCAR2 (0.52) HCAR2KEAP1NFE2L2
SCHEMBL15824045 0.81 HCAR2 (0.52) HCAR2KEAP1NFE2L2
SCHEMBL15824044 0.81 HCAR2 (0.52) HCAR2KEAP1NFE2L2
SCHEMBL18475763 0.75 HCAR2 (0.45) HCAR2KEAP1NFE2L2
SCHEMBL17699005 0.75 HCAR2 (0.59) HCAR2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110789-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS ratiopharm GmbH (DE) 2017-01-04 — — EP disclosed
WO-2015128488-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2015-09-03 — — WO disclosed