⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL475971 | 0.95 | MEN1 (0.56) | — | |
| Iodide SCHEMBL27407990 | 0.95 | — | — | |
| Water SCHEMBL27620318 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL2325144 | 0.95 | — | — | |
| Methane SCHEMBL17800724 | 0.95 | — | — | |
| Phosphine SCHEMBL27544257 | 0.95 | — | — | |
| Hydrogen Sulfide SCHEMBL3569701 | 0.95 | — | — | |
| SCHEMBL31290738 | 0.95 | MEN1 (0.65) | — | |
| Hydrazine SCHEMBL10481629 | 0.91 | — | — | |
| Ethane SCHEMBL28709478 | 0.91 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2882754-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-10-03 | — | — | EP | disclosed |
| WO-2011150288-A1 | 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. (US) | 2011-12-01 | — | — | WO | disclosed |
| EP-1558730-B1 | INHIBITOR-RESISTANT HCV NS3 PROTEASE | BOEHRINGER INGELHEIM INT (DE) | 2008-01-30 | — | — | EP | disclosed |
| US-7208309-B2 | Comprises amino acid sequence mutated in the substrate binding pocket; useful in screening compounds having therapeutic value against drug resistant strains | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-04-24 | — | — | US | disclosed |
| EP-1558730-A1 | INHIBITOR-RESISTANT HCV NS3 PROTEASE | Boehringer Ingelheim International GmbH (DE) | 2005-08-03 | — | — | EP | disclosed |
| US-20050019753-A1 | Comprises amino acid sequence mutated in the substrate binding pocket; useful in screening compounds having therapeutic value against drug resistant strains | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-01-27 | — | — | US | disclosed |
| WO-2004039970-A1 | INHIBITOR-RESISTANT HCV NS3 PROTEASE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-05-13 | — | — | WO | disclosed |