⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12730188 | 0.88 | HTR2C (0.30) | — | |
| SCHEMBL12730184 | 0.80 | PIK3R2 (0.36) | — | |
| SCHEMBL806170 | 0.80 | — | — | |
| SCHEMBL12730181 | 0.78 | KDM4E (0.48) | — | |
| SCHEMBL1688353 | 0.78 | TYK2 (0.35) | — | |
| SCHEMBL12730183 | 0.77 | PIK3R2 (0.38) | — | |
| SCHEMBL12730517 | 0.76 | — | — | |
| SCHEMBL12730182 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL12731740 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL12731741 | 0.75 | ALDH1A1 (0.36) | — |
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-20110081315-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-04-07 | — | — | US | disclosed |
| US-20110081315-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-04-07 | — | — | US | disclosed |
| US-20110081315-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-04-07 | — | — | US | disclosed |
| WO-2011038293-A1 | CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-03-31 | — | — | WO | disclosed |