⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2921901 | 1.00 | — | — | |
| SCHEMBL466704 | 1.00 | — | — | |
| SCHEMBL3447382 | 0.85 | — | — | |
| SCHEMBL3447384 | 0.85 | — | — | |
| SCHEMBL20526060 | 0.83 | TSHR (0.42) | — | |
| SCHEMBL3250029 | 0.83 | TSHR (0.42) | — | |
| SCHEMBL3119034 | 0.82 | — | — | |
| SCHEMBL9333745 | 0.82 | — | — | |
| SCHEMBL20526052 | 0.78 | ALOX15 (0.43) | — | |
| Allyl Alcohol SCHEMBL28659767 | 0.77 | TSHR (0.60) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230227454-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2023-07-20 | — | — | US | disclosed |
| US-11649236-B2 | Polycyclic carbamoylpyridone derivative | SHIONOGI & CO., LTD. (JP) | 2023-05-16 | — | — | US | disclosed |
| WO-2020216764-A1 | MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY | EVOTEC INTERNATIONAL GMBH (DE) | 2020-10-29 | — | — | WO | disclosed |
| EP-2076278-B1 | Macrocyclic HCV NS3 protease inhibitors | MERCK SHARP & DOHME (US) | 2015-05-06 | — | — | EP | disclosed |
| EP-2083844-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-11-27 | — | — | EP | disclosed |
| US-8377873-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-02-19 | — | — | US | disclosed |
| US-8377874-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-02-19 | — | — | US | disclosed |
| US-20100298210-A1 | HCV NS3 Protease Inhibitors | MERCK SHARP & DOHME LLC | 2010-11-25 | — | — | US | disclosed |
| US-20100286185-A1 | HCV NS3 Protease Inhibitors | MERCK SHARP & DOHME LLC | 2010-11-11 | — | — | US | disclosed |
| WO-2008051477-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |