SCHEMBL14224519

SCHEMBL14224519

CC(O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)NO

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
SCHEMBL15235724 1.00 — —
SCHEMBL15235726 1.00 — —
SCHEMBL437918 1.00 — —
SCHEMBL403295 1.00 — —
SCHEMBL1105528 1.00 — —
SCHEMBL1105551 1.00 — —
SCHEMBL14400918 0.95 — —
SCHEMBL12837824 0.95 — —
SCHEMBL405336 0.95 — —
SCHEMBL255183 0.95 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 — — US disclosed
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