⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13245239 | 0.83 | HTR2A (0.33) | — | |
| SCHEMBL14408314 | 0.82 | TNKS2 (0.31) | — | |
| SCHEMBL14415876 | 0.80 | EHMT2 (0.33) | — | |
| SCHEMBL12416272 | 0.77 | IDH1 (0.32) | — | |
| SCHEMBL13267096 | 0.76 | ADORA3 (0.33) | — | |
| SCHEMBL13267448 | 0.72 | HTR2A (0.33) | — | |
| SCHEMBL13245075 | 0.68 | TNKS2 (0.30) | — | |
| SCHEMBL12213778 | 0.68 | TNKS2 (0.33) | — | |
| SCHEMBL15100542 | 0.68 | IDH1 (0.32) | — | |
| SCHEMBL12507312 | 0.67 | IDH1 (0.32) | — |
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-7273885-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-25 | — | — | US | disclosed |