⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6369137 | 1.00 | — | — | |
| SCHEMBL6369005 | 1.00 | — | — | |
| SCHEMBL6369008 | 1.00 | — | — | |
| SCHEMBL6369140 | 1.00 | — | — | |
| SCHEMBL6369143 | 1.00 | — | — | |
| SCHEMBL7336235 | 0.78 | TRPA1 (0.35) | — | |
| SCHEMBL7336245 | 0.78 | TRPA1 (0.35) | — | |
| SCHEMBL211612 | 0.75 | GAA (0.36) | — | |
| Hydrochloric Acid SCHEMBL2360762 | 0.73 | GAA (0.34) | — | |
| Hydrochloric Acid SCHEMBL3772181 | 0.73 | GAA (0.34) | — |
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-20050009733-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage | PHARMACIA CORPORATION | 2005-01-13 | — | — | US | disclosed |