⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL803645 | 0.89 | PRKCA (0.35) | — | |
| SCHEMBL792279 | 0.87 | ARF6 (0.35) | — | |
| SCHEMBL804018 | 0.85 | NR1I2 (0.33) | — | |
| SCHEMBL804084 | 0.83 | PRKCA (0.32) | — | |
| SCHEMBL10283236 | 0.83 | SCN9A (0.35) | — | |
| SCHEMBL14572868 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL792439 | 0.81 | CES1 (0.34) | — | |
| SCHEMBL792582 | 0.79 | CCNB2 (0.39) | — | |
| SCHEMBL804489 | 0.76 | KCNH2 (0.32) | — | |
| SCHEMBL792903 | 0.76 | PARG (0.35) | — |
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.
| 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 |