⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5420428 | 1.00 | — | — | |
| SCHEMBL2462235 | 1.00 | — | — | |
| SCHEMBL7043967 | 0.70 | — | — | |
| SCHEMBL439352 | 0.70 | — | — | |
| SCHEMBL1107768 | 0.67 | — | — | |
| SCHEMBL7058997 | 0.67 | — | — | |
| SCHEMBL7037627 | 0.67 | — | — | |
| SCHEMBL4591460 | 0.65 | — | — | |
| SCHEMBL2814 | 0.65 | — | — | |
| SCHEMBL2029 | 0.65 | — | — |
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-2364321-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-09-14 | — | — | EP | disclosed |
| WO-2010065577-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-06-10 | — | — | WO | disclosed |