⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13688747 | 0.78 | — | — | |
| SCHEMBL13690271 | 0.74 | P2RX3 (0.31) | — | |
| SCHEMBL13843660 | 0.72 | — | — | |
| SCHEMBL13748290 | 0.65 | AR (0.31) | — | |
| SCHEMBL19117423 | 0.65 | AR (0.33) | — | |
| SCHEMBL16122428 | 0.60 | PGR (0.33) | — | |
| SCHEMBL18135456 | 0.59 | MAOA (0.38) | — | |
| SCHEMBL2153709 | 0.59 | GABRA1 (0.37) | — | |
| SCHEMBL14340660 | 0.58 | ALOX5 (0.38) | — | |
| SCHEMBL13688750 | 0.58 | GABRA1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1867646-A1 | Cytokine inhibitors | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2007-12-19 | — | — | EP | disclosed |