SCHEMBL133036

SCHEMBL133036

Cc1ccc(-c2c(C(C)C(=O)O)c(C)nc3sc4c(c23)CC=CC=C4)cc1

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
SCHEMBL136769 0.86 — —
SCHEMBL135692 0.81 KMT2A (0.46) —
SCHEMBL15875940 0.81 KMT2A (0.64) —
SCHEMBL133235 0.81 — —
SCHEMBL135475 0.78 — —
SCHEMBL132681 0.78 KMT2A (0.66) —
SCHEMBL3475837 0.78 KMT2A (0.50) —
SCHEMBL135693 0.78 KMT2A (0.40) —
SCHEMBL136301 0.77 — —
SCHEMBL139382 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 — — US claimed
US-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 — — US disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 — — US disclosed
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