⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15423596 | 1.00 | — | — | |
| SCHEMBL2172560 | 1.00 | — | — | |
| SCHEMBL12248210 | 1.00 | — | — | |
| SCHEMBL2172563 | 1.00 | — | — | |
| SCHEMBL13395257 | 1.00 | — | — | |
| SCHEMBL18721798 | 0.88 | FAAH (0.34) | — | |
| SCHEMBL21129633 | 0.88 | FAAH (0.34) | — | |
| SCHEMBL1070419 | 0.85 | — | — | |
| SCHEMBL21129634 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL1073649 | 0.79 | CA1 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2780026-A2 | HCV NS3 PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013074386-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |