SCHEMBL15090252

SCHEMBL15090252

C=CC[C@]1(C(=O)OC)C[C@@H](O)[C@@H](NC(C)=O)C([C@H](O)C(O)CN=[N+]=[N-])O1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NANP Q8TBE9 3/20 0.48
▸ NEU2 Q9Y3R4 3/20 0.44
▸ NEU3 Q9UQ49 2/20 0.44
▸ NEU4 Q8WWR8 1/20 0.44
▸ SIGLEC7 Q9Y286 7/20 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
SCHEMBL16362518 1.00 NANP (0.48) NANPNEU2NEU3NEU4SIGLEC7
SCHEMBL31695026 1.00 NANP (0.48) NANPNEU2NEU3NEU4SIGLEC7
SCHEMBL31695044 0.90 NANP (0.39) NANPNEU2NEU3NEU4
SCHEMBL26943412 0.90 NANP (0.39) NANPNEU2NEU3NEU4
SCHEMBL26944654 0.90 NANP (0.39) NANPNEU2NEU3NEU4
SCHEMBL15090246 0.87 NANP (0.50) NANPNEU2NEU3NEU4SIGLEC7
SCHEMBL16362511 0.84 NANP (0.55) NANPNEU2NEU3NEU4SIGLEC7
SCHEMBL15090335 0.84 NANP (0.55) NANPNEU2NEU3NEU4SIGLEC7
SCHEMBL15087689 0.84 NANP (0.55) NANPNEU2NEU3NEU4SIGLEC7
SCHEMBL16839998 0.84 NANP (0.55) NANPNEU2NEU3NEU4SIGLEC7

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-2797946-B1 SIALIC ACID DIMERS BROSSMER REINHARD (DE) 2016-05-04 — — EP disclosed
WO-2013097942-A1 SIALIC ACID DIMERS BROSSMER REINHARD (DE) 2013-07-04 — — WO disclosed
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