⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2370581 | 0.63 | — | — | |
| SCHEMBL6245818 | 0.63 | SLC6A12 (0.36) | — | |
| SCHEMBL277846 | 0.63 | EPHX1 (0.50) | — | |
| SCHEMBL38651937 | 0.63 | EPHX1 (0.50) | — | |
| SCHEMBL38651938 | 0.63 | EPHX1 (0.50) | — | |
| SCHEMBL38652299 | 0.63 | EPHX1 (0.50) | — | |
| SCHEMBL21822839 | 0.62 | ITGB1 (0.33) | — | |
| SCHEMBL6119303 | 0.60 | EPHX1 (0.32) | — | |
| SCHEMBL1433014 | 0.58 | KMT2A (0.35) | — | |
| SCHEMBL21798024 | 0.58 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2337784-A1 | MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-06-29 | — | — | EP | disclosed |
| EP-2331552-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-06-15 | — | — | EP | disclosed |
| EP-2300490-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-03-30 | — | — | EP | disclosed |
| WO-2010036871-A1 | MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-01 | — | — | WO | disclosed |
| WO-2010036551-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-01 | — | — | WO | disclosed |
| WO-2009146347-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-03 | — | — | WO | disclosed |