SCHEMBL19821780

SCHEMBL19821780

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCF)S(C)(=O)=O)c(-c3cccc(C(=O)O)c3)cc12

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
SCHEMBL19821786 0.96
SCHEMBL1919014 0.94 CYP3A4 (0.50)
SCHEMBL19821782 0.93
SCHEMBL18028993 0.93 CYP3A4 (0.51)
SCHEMBL19833543 0.92
SCHEMBL19833621 0.91
SCHEMBL19833518 0.91
SCHEMBL19833516 0.90
SCHEMBL19833399 0.90
SCHEMBL19833395 0.90

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-20180099953-A1 BENZOFURANS SUBSTITUTED WITH SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-12 US disclosed
US-20180099953-A1 BENZOFURANS SUBSTITUTED WITH SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-12 US disclosed
US-20180030019-A1 SUBSTITUTED BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
US-20180030017-A1 BENZOFURANS SUBSTITUTED WITH PRIMARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
US-20180030017-A1 BENZOFURANS SUBSTITUTED WITH PRIMARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
US-20180030016-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
US-20180030056-A1 BENZOFURANS SUBSTITUTED WITH BICYCLIC SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed
US-20180030056-A1 BENZOFURANS SUBSTITUTED WITH BICYCLIC SECONDARY BENZAMIDE AS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-01 US disclosed