⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1106136 | 0.83 | — | — | |
| SCHEMBL1598544 | 0.83 | — | — | |
| SCHEMBL5286777 | 0.83 | — | — | |
| SCHEMBL5279708 | 0.82 | — | — | |
| SCHEMBL5275268 | 0.77 | — | — | |
| SCHEMBL5281516 | 0.77 | — | — | |
| SCHEMBL5283119 | 0.77 | — | — | |
| SCHEMBL5273037 | 0.74 | — | — | |
| SCHEMBL5287402 | 0.74 | — | — | |
| SCHEMBL5278166 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090143354-A1 | P2X7 Receptor Antagonists and Their Use | ASTRAZENECA AB (SE) | 2009-06-04 | — | — | US | disclosed |
| US-7408065-B2 | P2X7 receptor antagonists and their use | ASTRAZENECA AB (SE) | 2008-08-05 | — | — | US | disclosed |
| US-7408065-B2 | P2X7 receptor antagonists and their use | ASTRAZENECA AB (SE) | 2008-08-05 | — | — | US | disclosed |
| EP-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |