⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50965 | 0.75 | — | — | |
| SCHEMBL23722514 | 0.71 | — | — | |
| SCHEMBL2815562 | 0.67 | — | — | |
| SCHEMBL883061 | 0.65 | — | — | |
| SCHEMBL16832104 | 0.65 | CA1 (0.32) | — | |
| SCHEMBL20399226 | 0.65 | — | — | |
| SCHEMBL21798387 | 0.64 | — | — | |
| SCHEMBL6876381 | 0.63 | — | — | |
| SCHEMBL16831667 | 0.63 | CA1 (0.32) | — | |
| SCHEMBL393019 | 0.63 | — | — |
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-2429568-B1 | MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARM INC (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2011038293-A1 | CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-03-31 | — | — | WO | disclosed |