SCHEMBL7826508

SCHEMBL7826508

CC(=O)N[C@H]1[C@H]([C@H](O)C2COC(C)(C)O2)OC(C(=O)O)=C[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NEU1 Q99519 14/20 0.57
NEU3 Q9UQ49 11/20 0.57
NEU4 Q8WWR8 5/20 0.57
NEU2 Q9Y3R4 3/20 0.57

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
SCHEMBL7826509 1.00 NEU1 (0.57) NEU1NEU3NEU4NEU2
SCHEMBL23663000 0.78 NEU2 (0.46) NEU2
SCHEMBL10024191 0.76 NEU1 (0.67) NEU1NEU3NEU4NEU2
SCHEMBL21240052 0.74 NEU2 (0.33) NEU1NEU3NEU4NEU2
SCHEMBL13840550 0.74 NEU1 (0.40) NEU1NEU3NEU4NEU2
Neu5Ac2En SCHEMBL22263416 0.73 NEU2 (1.00) NEU1NEU3NEU4NEU2
Neu5Ac2En SCHEMBL21125943 0.73 NEU2 (1.00) NEU1NEU3NEU4NEU2
Neu5Ac2En SCHEMBL2619259 0.73 NEU2 (1.00) NEU1NEU3NEU4NEU2
Neu5Ac2En SCHEMBL2631455 0.73 NEU2 (1.00) NEU1NEU3NEU4NEU2
Neu5Ac2En SCHEMBL24387783 0.73 NEU2 (1.00) NEU1NEU3NEU4NEU2

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-0833825-B1 6-CARBOXAMIDO DIHYDROPYRAN DERIVATIVES BIOTA SCIENT MANAGEMENT (AU) 2001-09-26 EP disclosed
US-5990156-A 6-Carboxamido dihydropyran derivatives BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 1999-11-23 US disclosed