⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL5458379 | 0.97 | — | — | |
| SCHEMBL1275944 | 0.72 | MEN1 (0.44) | — | |
| SCHEMBL844527 | 0.69 | — | — | |
| SCHEMBL23759230 | 0.67 | MEN1 (0.35) | — | |
| SCHEMBL12927056 | 0.67 | MEN1 (0.40) | — | |
| SCHEMBL4105241 | 0.67 | — | — | |
| SCHEMBL583849 | 0.67 | — | — | |
| SCHEMBL19041345 | 0.67 | MEN1 (0.40) | — | |
| SCHEMBL11796900 | 0.67 | — | — | |
| SCHEMBL4094792 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7906619-B2 | 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-03-15 | — | — | US | disclosed |
| US-RE42164-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2011-02-22 | — | — | US | disclosed |
| US-RE41894-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2010-10-26 | — | — | US | disclosed |
| US-RE41356-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM CANADA LTD. (CA) | 2010-05-25 | — | — | US | disclosed |
| EP-1105413-B1 | HEPATITIS C INHIBITOR TRI-PEPTIDES | BOEHRINGER INGELHEIM CA LTD (CA) | 2009-04-29 | — | — | EP | disclosed |
| EP-2028186-A2 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2009-02-25 | — | — | EP | disclosed |
| US-20090048297-A1 | 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS (US) | 2009-02-19 | — | — | US | disclosed |
| US-RE40525-E1 | Hepatitis C inhibitor tri-peptides | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2008-09-30 | — | — | US | disclosed |
| WO-2004009121-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING HEPATITIS C VIRAL PROTEASE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2004-01-29 | — | — | WO | disclosed |