SCHEMBL8580225

SCHEMBL8580225

C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc(C(F)(F)F)nc1)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
SCHEMBL16186961 1.00 — —
SCHEMBL8614530 0.92 — —
SCHEMBL16189712 0.92 — —
SCHEMBL16186951 0.88 — —
SCHEMBL9609893 0.88 — —
SCHEMBL8616190 0.83 — —
SCHEMBL8626801 0.83 — —
SCHEMBL9609845 0.81 — —
SCHEMBL16186925 0.81 — —
SCHEMBL9609865 0.80 — —

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
US-20160355528-A1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LIMITED (GB) 2016-12-08 — — 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-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
WO-2012066442-A1 INHIBITORS OF HIV REPLICATION PFIZER LIMITED (GB) 2012-05-24 — — WO disclosed
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