⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25332582 | 0.86 | — | — | |
| SCHEMBL362346 | 0.84 | KEAP1 (0.50) | — | |
| Ethane SCHEMBL1821048 | 0.78 | KEAP1 (0.40) | — | |
| SCHEMBL2040306 | 0.77 | — | — | |
| SCHEMBL8907019 | 0.77 | — | — | |
| SCHEMBL9531670 | 0.77 | — | — | |
| SCHEMBL25333148 | 0.75 | — | — | |
| SCHEMBL1688839 | 0.75 | KEAP1 (0.44) | — | |
| SCHEMBL1364810 | 0.75 | — | — | |
| SCHEMBL691779 | 0.75 | — | — |
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-20070135454-A1 | Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) | BAYLISS TRACY | 2007-06-14 | — | — | US | disclosed |