⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4691876 | 1.00 | — | — | |
| SCHEMBL197402 | 0.82 | — | — | |
| SCHEMBL3962185 | 0.81 | — | — | |
| SCHEMBL1746181 | 0.80 | SLC6A2 (0.42) | — | |
| SCHEMBL536771 | 0.80 | SLC6A2 (0.42) | — | |
| SCHEMBL3429880 | 0.79 | SLC6A2 (0.40) | — | |
| SCHEMBL14474333 | 0.77 | — | — | |
| SCHEMBL20878691 | 0.77 | — | — | |
| Iodide SCHEMBL5326404 | 0.77 | SLC6A2 (0.38) | — | |
| SCHEMBL6690283 | 0.77 | SLC6A2 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2780026-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-23 | — | — | EP | disclosed |
| US-9328138-B2 | HCV NS3 protease inhibitors | MSD ITALIA S.R.L. (IT) | 2016-05-03 | — | — | US | disclosed |
| US-20140296136-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-10-02 | — | — | US | disclosed |