⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4947879 | 0.90 | — | — | |
| SCHEMBL17332207 | 0.82 | — | — | |
| SCHEMBL2722001 | 0.82 | — | — | |
| SCHEMBL15940469 | 0.80 | — | — | |
| SCHEMBL15940529 | 0.80 | NPC1 (0.42) | — | |
| SCHEMBL21013660 | 0.79 | — | — | |
| SCHEMBL4942194 | 0.77 | — | — | |
| SCHEMBL9107560 | 0.77 | SLC2A1 (0.46) | — | |
| SCHEMBL2729824 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL2730221 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2953456-B1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME (US) | 2019-05-22 | — | — | EP | disclosed |
| US-9243002-B2 | Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C | MERCK SHARP & DOHME CORP. (US) | 2016-01-26 | — | — | US | disclosed |
| US-20150361101-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME CORP. (US) | 2015-12-17 | — | — | US | disclosed |
| EP-2953456-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | Merck Sharp & Dohme Corp. (US) | 2015-12-16 | — | — | EP | disclosed |
| WO-2014121416-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME CORP. (US) | 2014-08-14 | — | — | WO | disclosed |
| WO-2014123793-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME CORP. (US) | 2014-08-14 | — | — | WO | disclosed |