⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12654720 | 1.00 | — | — | |
| SCHEMBL9501032 | 0.85 | CES2 (0.35) | — | |
| SCHEMBL7927996 | 0.84 | CES1 (0.36) | — | |
| SCHEMBL7927993 | 0.84 | CES1 (0.36) | — | |
| SCHEMBL15801481 | 0.83 | — | — | |
| SCHEMBL19994697 | 0.82 | CES2 (0.39) | — | |
| SCHEMBL9219093 | 0.82 | — | — | |
| SCHEMBL5868328 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL8573776 | 0.81 | SQLE (0.43) | — | |
| SCHEMBL8573777 | 0.81 | SQLE (0.43) | — |
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-9527827-B2 | C-9 oxygen functionalized labdane derivates | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-12-27 | — | — | US | disclosed |
| US-8183005-B1 | Pharmaceutical agents for treating HCV infections | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2012-05-22 | — | — | US | disclosed |
| US-7378446-B2 | Compound having anti-HCV activity and process for producing the same | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2008-05-27 | — | — | US | disclosed |