⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20378185 | 1.00 | — | — | |
| SCHEMBL5487626 | 1.00 | — | — | |
| SCHEMBL3306761 | 0.79 | CYP3A4 (0.34) | — | |
| SCHEMBL5741678 | 0.79 | TLR4 (0.37) | — | |
| SCHEMBL2837658 | 0.79 | TLR4 (0.37) | — | |
| SCHEMBL1101940 | 0.79 | TLR4 (0.37) | — | |
| SCHEMBL20378167 | 0.77 | — | — | |
| SCHEMBL1536110 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL1270950 | 0.74 | GABRR1 (0.32) | — | |
| SCHEMBL10710380 | 0.67 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10172846-B2 | HCV NS-3 serine protease inhibitors | MEDIVIR AB (SE) | 2019-01-08 | — | — | US | disclosed |
| US-20170196849-A1 | HCV NS-3 SERINE PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2017-07-13 | — | — | US | disclosed |