SCHEMBL8560133

SCHEMBL8560133

C/N=C(/N)N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NEU2 Q9Y3R4 7/20 0.69
▸ NEU4 Q8WWR8 6/20 0.69
▸ NEU3 Q9UQ49 5/20 0.69
▸ LMNA P02545 1/20 0.69
▸ NEU1 Q99519 5/20 0.66

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
SCHEMBL8563620 0.92 NEU2 (0.69) NEU2NEU4NEU3LMNANEU1
SCHEMBL8563443 0.92 NEU2 (0.69) NEU2NEU4NEU3LMNANEU1
SCHEMBL2631658 0.89 NEU2 (0.73) NEU2NEU4NEU3LMNANEU1
SCHEMBL28036256 0.89 NEU2 (0.73) NEU2NEU4NEU3LMNANEU1
SCHEMBL6018157 0.89 NEU2 (0.78) NEU2NEU4NEU3LMNANEU1
Zanamivir SCHEMBL13980833 0.88 NEU2 (0.72) NEU2NEU4NEU3LMNANEU1
Zanamivir SCHEMBL3497032 0.88 NEU2 (0.72) NEU2NEU4NEU3LMNANEU1
Zanamivir SCHEMBL15448958 0.88 NEU2 (0.72) NEU2NEU4NEU3LMNANEU1
Zanamivir SCHEMBL13169991 0.88 NEU2 (0.72) NEU2NEU4NEU3LMNANEU1
Zanamivir SCHEMBL12367840 0.88 NEU2 (0.72) NEU2NEU4NEU3LMNANEU1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539204-B1 Antiviral 4-substituted-2-deoxy-2,3-didehydro derivatives of alpha D-neuraminic acid BIOTA SCIENT MANAGEMENT (AU) 1998-01-07 — — EP claimed
US-5639786-A Antiviral 4-substituted-2-deoxy-2,3-didehydro-derivatives of α-D-neuraninic acid BIOTA SCIENTIFIC MANAGEMENT, PTY., LTD. (AU) 1997-06-17 — — US claimed
EP-0539204-A1 Antiviral 4-substituted-2-deoxy-2,3-didehydro derivatives of alpha D-neuraminic acid BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1993-04-28 — — EP claimed
US-5639786-A Antiviral 4-substituted-2-deoxy-2,3-didehydro-derivatives of α-D-neuraninic acid BIOTA SCIENTIFIC MANAGEMENT, PTY., LTD. (AU) 1997-06-17 — — US disclosed
EP-0539204-A1 Antiviral 4-substituted-2-deoxy-2,3-didehydro derivatives of alpha D-neuraminic acid BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1993-04-28 — — EP disclosed
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