SCHEMBL20533638

SCHEMBL20533638

COc1cccc(-n2cc(-c3ccccc3S(=O)(=O)c3ccc(C(=O)OCC[N+](C)(C)C)cc3)nn2)c1OC

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
SCHEMBL20533040 0.94 — —
SCHEMBL20533242 0.90 — —
SCHEMBL20533223 0.88 — —
SCHEMBL20533314 0.87 — —
SCHEMBL20533129 0.87 NR1I2 (0.47) —
SCHEMBL20533331 0.87 — —
SCHEMBL20533187 0.86 — —
SCHEMBL20533045 0.84 — —
SCHEMBL23879952 0.82 — —
SCHEMBL20533317 0.82 — —

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-11136301-B2 Broad spectrum antiviral compounds and uses thereof The Regents of the University of California, A California Corporation et al. (US) 2021-10-05 — — US disclosed
US-20180297963-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF THE UNIVERSITY OF MIAMI 2018-10-18 — — US disclosed
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