⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10089109 | 0.94 | — | — | |
| SCHEMBL806055 | 0.88 | MEN1 (0.32) | — | |
| SCHEMBL12730188 | 0.80 | HTR2C (0.30) | — | |
| SCHEMBL1653809 | 0.80 | — | — | |
| SCHEMBL806104 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL10089118 | 0.78 | POLB (0.34) | — | |
| SCHEMBL10089107 | 0.73 | POLB (0.33) | — | |
| SCHEMBL12730184 | 0.72 | PIK3R2 (0.36) | — | |
| SCHEMBL12730519 | 0.72 | CDK1 (0.31) | — | |
| SCHEMBL10099018 | 0.71 | LMNA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120094897-A1 | NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2012-04-19 | — | — | US | disclosed |
| US-20120094897-A1 | NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2012-04-19 | — | — | US | disclosed |
| WO-2012037259-A1 | NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2012-03-22 | — | — | WO | disclosed |