SCHEMBL8849591

SCHEMBL8849591

CC(O)C(OC(C)(C)CN)OC(C)(C)CN

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.31

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
SCHEMBL21578118 0.81 MAPK1 (0.31) MAPK1
SCHEMBL1009300 0.80
SCHEMBL17700630 0.74
SCHEMBL3973872 0.74 CYP2D6 (0.35)
SCHEMBL23836768 0.71 MAPK1 (0.31) MAPK1
SCHEMBL15258383 0.67 VDR (0.31)
SCHEMBL10867386 0.66
SCHEMBL22403680 0.65 CYP1A2 (0.31)
SCHEMBL7626984 0.65 CYP2D6 (0.32)
SCHEMBL24520758 0.64

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-0799349-A1 REDEGISTABLE CELLULOSE-CONTAINING MATERIALS BAYER AG (DE) 1997-10-08 EP disclosed
WO-1996020309-A1 REDEGISTABLE CELLULOSE-CONTAINING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1996-07-04 WO disclosed