⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL731326 | 0.99 | MEN1 (0.32) | — | |
| SCHEMBL1243340 | 0.97 | — | — | |
| SCHEMBL1244093 | 0.96 | MEN1 (0.32) | — | |
| SCHEMBL731467 | 0.78 | EPHX1 (0.34) | — | |
| SCHEMBL731074 | 0.75 | USP2 (0.31) | — | |
| SCHEMBL731325 | 0.74 | USP2 (0.33) | — | |
| SCHEMBL1243338 | 0.72 | USP2 (0.34) | — | |
| SCHEMBL1244090 | 0.71 | USP2 (0.36) | — | |
| SCHEMBL4722847 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL21486265 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8138164-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-03-20 | — | — | US | disclosed |
| US-20110028494-A1 | HCV NS3 Protease Inhibitors | MERCK SHARP & DOHME LLC | 2011-02-03 | — | — | US | disclosed |