SCHEMBL6028034

SCHEMBL6028034

O=C[C@H](O)[C@@H](O)[C@](O)([AsH2])CO

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 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
SCHEMBL183808 0.76 AKR1B1 (0.36) AKR1B1
SCHEMBL8891164 0.73 AKR1B1 (0.33) AKR1B1
SCHEMBL6136757 0.73 AKR1B1 (0.33) AKR1B1
SCHEMBL1735273 0.73 AKR1B1 (0.33) AKR1B1
SCHEMBL4442654 0.73 AKR1B1 (0.33) AKR1B1
SCHEMBL22718863 0.73 AKR1B1 (0.33) AKR1B1
SCHEMBL3512421 0.73 AKR1B1 (0.33) AKR1B1
SCHEMBL13537409 0.70 AKR1B1 (0.31) AKR1B1
SCHEMBL4961423 0.68 AKR1B1 (0.33) AKR1B1
SCHEMBL4669444 0.68 AKR1B1 (0.33) AKR1B1

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-1727558-A1 USE OF DMBT1 FOR CAPTURING SULPHATE AND PHOSPHATE GROUP EXPOSING AGENTS DKFZ Deutsches Krebsforschungszentrum (DE) 2006-12-06 EP disclosed
WO-2005079834-A1 USE OF DMBT1 FOR CAPTURING SULPHATE AND PHOSPHATE GROUP EXPOSING AGENTS DKFZ DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2005-09-01 WO disclosed