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SCHEMBL17048385

SCHEMBL17048385

COC(=O)/C=C/C(=O)OC[C@H](CO)OC(=O)/C=C/C(=O)OC.COC(=O)/C=C/C(=O)OC[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)/C=C/C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 5/20 0.38
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL20981993 0.95 HCAR2 (0.36) KEAP1NFE2L2HCAR2
SCHEMBL17048413 0.95 HCAR2 (0.36) KEAP1NFE2L2HCAR2
SCHEMBL17048269 0.95 HCAR2 (0.36) KEAP1NFE2L2HCAR2
SCHEMBL17048371 0.95 HCAR2 (0.36) KEAP1NFE2L2HCAR2
SCHEMBL17048266 0.90 HCAR2 (0.34) KEAP1NFE2L2HCAR2
SCHEMBL17048322 0.84 HCAR2 (0.46) PRKCAKEAP1NFE2L2HCAR2
SCHEMBL17048419 0.84 HCAR2 (0.46) PRKCAKEAP1NFE2L2HCAR2
SCHEMBL17048418 0.84 HCAR2 (0.46) PRKCAKEAP1NFE2L2HCAR2
SCHEMBL15824044 0.79 HCAR2 (0.52) PRKCAKEAP1NFE2L2HCAR2
SCHEMBL15824042 0.79 HCAR2 (0.52) PRKCAKEAP1NFE2L2HCAR2

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