SCHEMBL2590390

SCHEMBL2590390

CC(C)(C)C(=O)C1(F)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 8/20 0.43
▸ PYGL P06737 3/20 0.39
▸ PYGM P11217 2/20 0.39
▸ IDUA P35475 1/20 0.38
▸ LMNA P02545 1/20 0.33
▸ GBA1 P04062 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
SCHEMBL8201558 0.77 PYGB (0.40) PYGBPYGLPYGM
SCHEMBL15125021 0.69 PYGB (0.48) PYGBPYGLPYGM
SCHEMBL10357870 0.69 PYGB (0.51) PYGBPYGLPYGM
SCHEMBL7742729 0.67 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL2353972 0.67 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL3712328 0.67 PYGB (0.47) PYGBPYGLPYGMLMNAGBA1
SCHEMBL11913232 0.67 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL7052003 0.67 PYGB (0.47) PYGBPYGLPYGMLMNAGBA1
SCHEMBL9708959 0.67 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL3712330 0.67 PYGB (0.47) PYGBPYGLPYGMLMNAGBA1

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-2566580-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE Revotar Biopharmaceuticals AG (DE) 2013-03-13 — — EP disclosed
WO-2011138365-A1 PROCESS FOR THE PREPARATION OF BIMOSIAMOSE REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-11-10 — — WO disclosed
Send feedback