⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3635556 | 0.87 | DGAT1 (0.31) | — | |
| SCHEMBL3635616 | 0.86 | — | — | |
| SCHEMBL13560462 | 0.84 | DUT (0.31) | — | |
| SCHEMBL3634283 | 0.82 | MEN1 (0.34) | — | |
| SCHEMBL3633644 | 0.82 | DUT (0.36) | — | |
| SCHEMBL5214265 | 0.81 | DGAT1 (0.34) | — | |
| SCHEMBL3633920 | 0.79 | DUT (0.33) | — | |
| SCHEMBL25712862 | 0.79 | NPC1 (0.31) | — | |
| SCHEMBL3028184 | 0.78 | MLKL (0.34) | — | |
| SCHEMBL3033883 | 0.78 | DGAT1 (0.30) | — |
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-8304419-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2012-11-06 | — | — | US | disclosed |
| EP-2166856-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008154271-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-18 | — | — | WO | disclosed |