⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2103747 | 0.88 | NOS2 (0.43) | — | |
| SCHEMBL2101637 | 0.86 | NOS3 (0.37) | — | |
| SCHEMBL4436983 | 0.83 | SLC6A4 (0.42) | — | |
| SCHEMBL2103802 | 0.81 | — | — | |
| SCHEMBL7508609 | 0.80 | — | — | |
| SCHEMBL20606207 | 0.80 | — | — | |
| SCHEMBL4727980 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL3332774 | 0.78 | SLC6A4 (0.44) | — | |
| Hydrochloric Acid SCHEMBL3332781 | 0.78 | SLC6A4 (0.44) | — | |
| SCHEMBL25105542 | 0.78 | SLC6A4 (0.41) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120070409-A1 | TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-03-22 | — | — | US | disclosed |
| US-7977331-B1 | Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor | JAPAN TOBACCO INC. (JP) | 2011-07-12 | — | — | US | disclosed |
| EP-2206715-A1 | Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor | Japan Tobacco, Inc. (JP) | 2010-07-14 | — | — | EP | disclosed |
| EP-1719773-B1 | FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2009-04-15 | — | — | EP | disclosed |
| US-20070049593-A1 | Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor | JAPAN TOBACCO INC. (JP) | 2007-03-01 | — | — | US | disclosed |
| EP-1719773-A1 | FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR | Japan Tobacco, Inc. (JP) | 2006-11-08 | — | — | EP | disclosed |