SCHEMBL9609899

SCHEMBL9609899

CCOC(C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc2nsnc2c1)CCCC3

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
SCHEMBL18287216 0.90 — —
SCHEMBL16189716 0.88 — —
SCHEMBL8626796 0.88 — —
SCHEMBL99325 0.87 KMT2A (0.62) —
SCHEMBL16189711 0.86 — —
SCHEMBL8578632 0.86 — —
SCHEMBL16186970 0.85 — —
SCHEMBL8601097 0.85 — —
SCHEMBL8582370 0.85 — —
SCHEMBL8594083 0.85 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447116-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2016-09-20 — — US disclosed
US-9447116-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2016-09-20 — — US disclosed
US-20140315927-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2014-10-23 — — US disclosed
US-20140315927-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2014-10-23 — — US disclosed
US-8809363-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2014-08-19 — — US disclosed
US-8809363-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2014-08-19 — — US disclosed
US-20120136023-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2012-05-31 — — US disclosed
US-20120136023-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2012-05-31 — — US disclosed
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