SCHEMBL15468432

SCHEMBL15468432

CC(=O)OC[C@H]1O[C@@H]2OC(C)(C)OC2[C@@]1(COC(C)=O)OC(C)=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL14724963 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6976472 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6983513 0.83 NPC1 (0.31)
SCHEMBL15109178 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12150617 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12148919 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17198607 0.73 CA1 (0.31)
SCHEMBL339167 0.71 CYP2D6 (0.34) ALDH1A1
SCHEMBL6982991 0.71 CYP2D6 (0.34) ALDH1A1
SCHEMBL14724964 0.71 CYP2D6 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824482-B1 3, 5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO [4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS INC (US) 2014-02-12 EP disclosed