⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22200112 | 0.73 | — | — | |
| SCHEMBL731254 | 0.69 | — | — | |
| SCHEMBL13079691 | 0.68 | ARG1 (0.33) | — | |
| SCHEMBL8096607 | 0.68 | — | — | |
| SCHEMBL731006 | 0.65 | — | — | |
| SCHEMBL731004 | 0.65 | — | — | |
| SCHEMBL731197 | 0.63 | — | — | |
| SCHEMBL8088886 | 0.62 | SMYD3 (0.41) | — | |
| SCHEMBL752538 | 0.59 | GRM4 (0.33) | — | |
| SCHEMBL22345435 | 0.59 | DPP4 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2076278-B1 | Macrocyclic HCV NS3 protease inhibitors | MERCK SHARP & DOHME (US) | 2015-05-06 | — | — | EP | disclosed |
| US-8377873-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-02-19 | — | — | US | disclosed |
| US-8138164-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-03-20 | — | — | US | disclosed |
| US-20100317623-A1 | HCV NS3 Protease Inhibitors | MERCK SHARP & DOHME LLC | 2010-12-16 | — | — | US | disclosed |
| US-20100298210-A1 | HCV NS3 Protease Inhibitors | MERCK SHARP & DOHME LLC | 2010-11-25 | — | — | US | disclosed |