SCHEMBL8675353

SCHEMBL8675353

[CH2][C@]1(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NANP Q8TBE9 3/20 0.49
NEU1 Q99519 2/20 0.37
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
MAG P20916 1/20 0.35

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
SCHEMBL4284548 0.86 NANP (0.53) NANPNEU1SELLSELPMAG
SCHEMBL123104 0.86 NANP (0.53) NANPNEU1SELLSELPMAG
SCHEMBL29632786 0.85 NANP (0.67) NANPNEU1SELLSELPMAG
SCHEMBL29390472 0.85 NANP (0.67) NANPNEU1SELLSELPMAG
SCHEMBL20190565 0.85 NANP (0.67) NANPNEU1SELLSELPMAG
SCHEMBL13190787 0.85 NANP (0.67) NANPNEU1SELLSELPMAG
SCHEMBL420656 0.85 NANP (0.67) NANPNEU1SELLSELPMAG
SCHEMBL17884457 0.81 NANP (0.52) NANPNEU1SELLSELPMAG
SCHEMBL17884386 0.81 NANP (0.52) NANPNEU1SELLSELPMAG
SCHEMBL6046356 0.77 NANP (0.62) NANPSELLSELPMAG

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
US-5766887-A Synthesis of 9-0-acetyl N-acetylneuraminic acid oligosaccharides THE SCRIPPS RESEARCH INSTITUTE (US) 1998-06-16 US claimed
US-5766887-A Synthesis of 9-0-acetyl N-acetylneuraminic acid oligosaccharides THE SCRIPPS RESEARCH INSTITUTE (US) 1998-06-16 US disclosed