⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL261612 | 0.87 | — | — | |
| SCHEMBL610131 | 0.87 | — | — | |
| SCHEMBL610843 | 0.84 | — | — | |
| SCHEMBL608493 | 0.84 | — | — | |
| SCHEMBL609154 | 0.73 | — | — | |
| SCHEMBL3387131 | 0.72 | SMYD2 (0.36) | — | |
| SCHEMBL608282 | 0.72 | CHRNA3 (0.30) | — | |
| SCHEMBL3386341 | 0.70 | HCRTR1 (0.42) | — | |
| SCHEMBL610839 | 0.70 | HCRTR1 (0.40) | — | |
| SCHEMBL609579 | 0.69 | HCRTR2 (0.33) | — |
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-20100144760-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-06-10 | — | — | US | disclosed |