SCHEMBL30732516

SCHEMBL30732516

C=CC[C@]1(C(=O)OC)CC(=O)C(NC(=O)OC(C)(C)C)[C@H]([C@H]2OC(C)(C)O[C@H]2CN=[N+]=[N-])O1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL31695161 1.00 — —
SCHEMBL30732482 0.85 — —
SCHEMBL31695052 0.85 — —
SCHEMBL26926517 0.80 — —
SCHEMBL26927561 0.80 — —
SCHEMBL31695205 0.75 NANP (0.33) —
SCHEMBL31695155 0.67 NANP (0.33) —
SCHEMBL31695038 0.67 NANP (0.33) —
SCHEMBL30732519 0.66 — —
SCHEMBL31695044 0.66 NANP (0.39) —

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-4536653-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME Eisai R&D Management Co., Ltd. (JP) 2025-04-16 — — EP disclosed
WO-2023239906-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-12-14 — — WO disclosed
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