⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14281120 | 0.85 | — | — | |
| SCHEMBL20755249 | 0.79 | EPHX1 (0.35) | — | |
| SCHEMBL19278128 | 0.79 | EPHX1 (0.35) | — | |
| SCHEMBL23845339 | 0.78 | CYP2C19 (0.39) | — | |
| SCHEMBL15851468 | 0.76 | ADAM10 (0.33) | — | |
| SCHEMBL17307627 | 0.75 | CYP2C19 (0.40) | — | |
| SCHEMBL5431393 | 0.73 | CHRM2 (0.37) | — | |
| SCHEMBL13612547 | 0.70 | APLNR (0.48) | — | |
| SCHEMBL19277426 | 0.70 | GRM5 (0.38) | — | |
| SCHEMBL31493463 | 0.70 | ALDH1A1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7635694-B2 | For treating hepatitis C and related disorders such as HIV, AIDS (Acquired Immune Deficiency Syndrome) | SCHERING CORPORATION (US) | 2009-12-22 | — | — | US | disclosed |