⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2468989 | 0.88 | — | — | |
| SCHEMBL14324064 | 0.86 | IDO1 (0.39) | — | |
| SCHEMBL2430804 | 0.85 | — | — | |
| SCHEMBL14771407 | 0.84 | CACNA1C (0.55) | — | |
| SCHEMBL12337021 | 0.83 | — | — | |
| SCHEMBL12318931 | 0.82 | — | — | |
| SCHEMBL2432682 | 0.82 | — | — | |
| SCHEMBL12319526 | 0.81 | CACNA1C (0.55) | — | |
| SCHEMBL12318781 | 0.81 | — | — | |
| SCHEMBL2516968 | 0.81 | CACNA1C (0.56) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2542545-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | Merck Sharp & Dohme Corp. (US) | 2013-01-09 | — | — | EP | disclosed |
| US-20120328569-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | MERCK SHARP & DOHME CORP. | 2012-12-27 | — | — | US | disclosed |
| WO-2011106992-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |
| WO-2011106992-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |