⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6913735 | 0.88 | F2 (0.41) | — | |
| SCHEMBL6913804 | 0.79 | TRHR (0.36) | — | |
| SCHEMBL8221022 | 0.75 | PRCP (0.36) | — | |
| SCHEMBL6913295 | 0.73 | CMA1 (0.41) | — | |
| SCHEMBL6914255 | 0.73 | CMA1 (0.41) | — | |
| SCHEMBL6913834 | 0.73 | F2 (0.42) | — | |
| SCHEMBL6914206 | 0.73 | CMA1 (0.41) | — | |
| SCHEMBL6886017 | 0.72 | — | — | |
| SCHEMBL8021556 | 0.65 | F2 (0.43) | — | |
| SCHEMBL19312112 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011002807-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2011-01-06 | — | — | WO | disclosed |
| WO-2009082697-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2009-07-02 | — | — | WO | disclosed |