⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15591418 | 0.87 | ALDH1A1 (0.46) | — | |
| SCHEMBL9242577 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL26888981 | 0.79 | — | — | |
| SCHEMBL22856074 | 0.79 | MAPT (0.46) | — | |
| SCHEMBL28179346 | 0.79 | — | — | |
| SCHEMBL17884297 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL1344230 | 0.77 | — | — | |
| SCHEMBL5466809 | 0.77 | — | — | |
| SCHEMBL28273001 | 0.77 | — | — | |
| SCHEMBL3074874 | 0.77 | CA2 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6774212-B2 | FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-08-10 | — | — | US | disclosed |
| EP-1252178-A1 | ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-10-30 | — | — | EP | disclosed |
| US-20020123468-A1 | Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-09-05 | — | — | US | disclosed |
| WO-2001040262-A1 | ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-06-07 | — | — | WO | disclosed |