⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18192035 | 0.78 | THRB (0.31) | — | |
| SCHEMBL1593163 | 0.76 | LMNA (0.35) | — | |
| SCHEMBL4996286 | 0.76 | LMNA (0.35) | — | |
| SCHEMBL15402689 | 0.75 | — | — | |
| SCHEMBL19457911 | 0.74 | — | — | |
| SCHEMBL74864 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL11801701 | 0.70 | — | — | |
| SCHEMBL27518422 | 0.70 | — | — | |
| SCHEMBL18192019 | 0.70 | — | — | |
| SCHEMBL6328126 | 0.69 | LMNA (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1409131-A2 | PALLADIUM-CATALYSED CARBON-CARBON BOND FORMING REACTIONS IN COMPRESSED CARBON DIOXIDE | Holmes, Andrew Bruce (GB) | 2004-04-21 | — | — | EP | disclosed |
| WO-2003009936-A2 | PALLADIUM-CATALYSED CARBON-CARBON BOND FORMING REACTIONS IN COMPRESSED CARBON DIOXIDE | HOLMES ANDREW BRUCE (GB) | 2003-02-06 | — | — | WO | disclosed |