⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4094169 | 0.78 | — | — | |
| SCHEMBL11844849 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4498804 | 0.77 | TLR7 (0.39) | — | |
| SCHEMBL641017 | 0.75 | TLR7 (0.41) | — | |
| SCHEMBL27830217 | 0.73 | TLR7 (0.50) | — | |
| SCHEMBL457097 | 0.71 | — | — | |
| SCHEMBL2643511 | 0.71 | — | — | |
| SCHEMBL5046969 | 0.70 | — | — | |
| Bromide SCHEMBL10983160 | 0.70 | TLR7 (0.47) | — | |
| SCHEMBL457089 | 0.70 | — | — |
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 8 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 |