SCHEMBL12239982

SCHEMBL12239982

CC1OC(OC2C(NC(=O)c3cc(O)nc(O)n3)CC(C(=O)NCCNC(=O)COCCOCC(=O)Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)CC2OC2OCC(O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C(O)C(O)C1O

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 12/20 0.72

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
Rivipansel SCHEMBL2958742 0.93 SELE (0.83) SELE
SCHEMBL12216731 0.89 SELE (0.76) SELE
SCHEMBL15214250 0.88 SELE (0.74) SELE
SCHEMBL25562916 0.87 SELE (0.73) SELE
SCHEMBL14667944 0.86 SELE (0.71) SELE
SCHEMBL2742900 0.86 SELE (0.71) SELE
SCHEMBL15160862 0.85 SELE (0.70) SELE
SCHEMBL12419366 0.85 SELE (0.70) SELE
SCHEMBL12216742 0.85 SELE (0.70) SELE
SCHEMBL13948336 0.85 SELE (0.70) SELE

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
US-8039442-B2 Compounds and methods for treatment of sickle cell disease or complications associated therewith GLYCOMIMETICS, INC. (US) 2011-10-18 — — US disclosed
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