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SCHEMBL14977908

SCHEMBL14977908

COC1OC(COS(=O)(=O)O)C(OC2OC(C(=O)O)C(OC3OC(COS(=O)(=O)O)C(OC4OC(C(=O)O)C(OC5OC(COS(=O)(=O)O)C(OC6OC(C(=O)O)C(OC)C(O)C6O)C(O)C5C)C(O)C4O)C(OSOOO)C3NS(=O)(=O)O)C(O)C2O)C(O)C1NS(=O)(=O)O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.67
▸ SERPINC1 P01008 3/20 0.41
▸ BDNF P23560 3/20 0.40
▸ PTN P21246 2/20 0.40
▸ MDK P21741 2/20 0.40
▸ F2 P00734 2/20 0.40
▸ HPSE Q9Y251 10/20 0.39
▸ PF4 P02776 1/20 0.39

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
SCHEMBL10148985 0.89 F10 (0.85) F10SERPINC1BDNFPTNMDK
SCHEMBL13795898 0.89 F10 (0.85) F10SERPINC1BDNFPTNMDK
Fondaparinux SCHEMBL14227800 0.80 F10 (1.00) F10SERPINC1BDNFPTNMDK
Fondaparinux SCHEMBL17655218 0.80 F10 (1.00) F10SERPINC1BDNFPTNMDK
Fondaparinux SCHEMBL19619397 0.80 F10 (1.00) F10SERPINC1BDNFPTNMDK
Fondaparinux SCHEMBL1650579 0.80 F10 (1.00) F10SERPINC1BDNFPTNMDK
Fondaparinux SCHEMBL15296579 0.80 F10 (1.00) F10SERPINC1BDNFPTNMDK
SCHEMBL14167122 0.80 F10 (0.64) F10SERPINC1BDNFPTNMDK
SCHEMBL13130300 0.80 F10 (0.84) F10SERPINC1BDNFPTNMDK
SCHEMBL18883211 0.78 F10 (0.81) F10SERPINC1BDNFPTNMDK

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-8450297-B2 Synthesis of N-deacetylate N-sulfate derivatives of non-sulfated N-acetyl heparosan (HS) polysaccharides; rapid synthesis; high product yield; controlling coagulation and treating thrombosis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-28 — — US disclosed