⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15424523 | 0.90 | — | — | |
| SCHEMBL15591350 | 0.90 | — | — | |
| SCHEMBL21486274 | 0.81 | CNR2 (0.31) | — | |
| SCHEMBL8209861 | 0.81 | CNR2 (0.31) | — | |
| SCHEMBL3306435 | 0.81 | CNR2 (0.31) | — | |
| SCHEMBL1259143 | 0.79 | CASP1 (0.32) | — | |
| SCHEMBL8215108 | 0.79 | CASP1 (0.32) | — | |
| SCHEMBL13395236 | 0.79 | CASP1 (0.32) | — | |
| SCHEMBL17099078 | 0.79 | CASP1 (0.32) | — | |
| SCHEMBL3306100 | 0.79 | CASP1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110046161-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2011-02-24 | — | — | US | disclosed |