⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13187465 | 0.84 | — | — | |
| SCHEMBL12824637 | 0.74 | — | — | |
| SCHEMBL18782920 | 0.69 | CA1 (0.32) | — | |
| SCHEMBL12824636 | 0.67 | DAO (0.45) | — | |
| SCHEMBL12060188 | 0.62 | — | — | |
| SCHEMBL20404004 | 0.62 | — | — | |
| SCHEMBL14554721 | 0.59 | — | — | |
| SCHEMBL12979016 | 0.57 | — | — | |
| SCHEMBL18782722 | 0.57 | ALDH1A1 (0.34) | — | |
| SCHEMBL17241185 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011031934-A1 | HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2011-03-17 | — | — | WO | disclosed |
| WO-2010148006-A1 | HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010099527-A1 | HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2010-09-02 | — | — | WO | disclosed |