SCHEMBL6774221

SCHEMBL6774221

Cc1ccc(Nc2cc(=O)n(CCCCI)c(=O)[nH]2)cc1C

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
SCHEMBL6779001 0.92 — —
SCHEMBL3470222 0.90 — —
SCHEMBL6779881 0.89 — —
SCHEMBL7042788 0.86 — —
SCHEMBL6780106 0.81 — —
SCHEMBL5935102 0.78 — —
SCHEMBL7036373 0.78 — —
SCHEMBL3470402 0.77 — —
SCHEMBL6777466 0.77 — —
SCHEMBL3471990 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 — — EP disclosed
EP-1401829-A4 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2004-10-27 — — EP disclosed
US-6777420-B2 A URACIL COMPOUNDS AS ENZYME INHIBITORS, INHIBIT BACTERIAL DNA POLYMERASE, TREATING BACTERIAL DISEASES MICROBIOTIX, INC. 2004-08-17 — — US disclosed
EP-1401829-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS Microbiotix, Inc. (US) 2004-03-31 — — EP disclosed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 — — US disclosed
WO-2002102792-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX, INC. (US) 2002-12-27 — — WO disclosed
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