SCHEMBL6055076

SCHEMBL6055076

COC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=O)OBr

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL3431727 0.89 TDP1 (0.33) TDP1
SCHEMBL6443475 0.78 ALDH1A1 (0.35)
SCHEMBL5274910 0.76 TSHR (0.33) TDP1
SCHEMBL9958869 0.76
SCHEMBL1815773 0.74 TDP1 (0.65) TDP1
SCHEMBL3422323 0.74 TDP1 (0.65) TDP1
SCHEMBL10510379 0.72 TDP1 (0.33) TDP1
SCHEMBL10511703 0.72 TDP1 (0.33) TDP1
SCHEMBL3477908 0.72 TDP1 (0.33) TDP1
SCHEMBL10511428 0.72 TDP1 (0.33) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006111355-A1 COMPOSITIONS FOR THE PREVENTION AND THE TREATMENT OF PAIN COMPRISING PHOSPHATIDYLETHANOLAMINE-BINDING PROTEIN (PEBP) DERIVED MOLECULES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2006-10-26 WO disclosed
US-6693179-B2 GENERATION OF MORPHINE-6-GLUCURONIDE; OBTAIN CHEMICAL INTERMEDIATES, INCUBATE IN REACTION MIXTURE, RECOVER MORPHINE-6-GLUCURONIDE CENES LIMITED (GB) 2004-02-17 US disclosed
US-6566510-B1 Generation of preferential glycosides; obtain chemical intermediates, incubate with reation mixture, recover glycosides GENES LIMITED (GB) 2003-05-20 US disclosed
EP-1086114-B1 MORPHINE-6-GLUCURONIDE SYNTHESIS CENES LTD (GB) 2002-10-02 EP disclosed