SCHEMBL12216730

SCHEMBL12216730

CC1OC(OC2C(NC(=O)c3cc(O)nc(O)n3)CC(C(=O)CCCNC(=O)COCCOCC(=O)CNc3cc(SOOO)cc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)CC2OC2OC(CO)C(O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C(O)C(O)C1O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 15/20 0.64

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
SCHEMBL13948336 0.96 SELE (0.70) SELE
SCHEMBL9999657 0.94 SELE (0.66) SELE
SCHEMBL13568653 0.92 SELE (0.59) SELE
SCHEMBL12216731 0.91 SELE (0.76) SELE
SCHEMBL2742900 0.90 SELE (0.71) SELE
SCHEMBL12216748 0.89 SELE (0.69) SELE
SCHEMBL13568657 0.88 SELE (0.65) SELE
SCHEMBL9999668 0.88 SELE (0.66) SELE
Rivipansel SCHEMBL2958742 0.87 SELE (0.83) SELE
SCHEMBL9999662 0.85 SELE (0.64) 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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