SCHEMBL9448155

SCHEMBL9448155

CO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@@H](COS(=O)(=O)C(F)(F)F)[C@@](O)(Cc2ccccc2)[C@]1(O)Cc1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.31
HTT P42858 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
SCHEMBL9448041 0.82 HTT (0.35) HTT
SCHEMBL9448369 0.80 PTPN2 (0.33)
SCHEMBL8105080 0.79 HTT (0.38) HTT
SCHEMBL3945464 0.79 HTT (0.38) HTT
SCHEMBL9448114 0.77 PTPN2 (0.32)
SCHEMBL9447950 0.75 TSHR (0.39)
SCHEMBL9448189 0.74 HTT (0.34) HTT
SCHEMBL9448297 0.70 SSTR1 (0.33) HTT
SCHEMBL5983969 0.69 HTT (0.34) HTT
SCHEMBL7643397 0.69 HTT (0.34) HTT

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-0532668-A1 NOVEL -g(a)-GLUCOSIDASE INHIBITORS. MERRELL DOW PHARMA (US) 1993-03-24 EP disclosed
WO-1991018915-A1 NOVEL α-GLUCOSIDASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 WO disclosed