⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4550324 | 0.74 | L3MBTL1 (0.37) | — | |
| SCHEMBL2714199 | 0.63 | KEAP1 (0.55) | — | |
| SCHEMBL27931958 | 0.63 | CYP1A2 (0.36) | — | |
| SCHEMBL2716332 | 0.62 | KEAP1 (0.40) | — | |
| SCHEMBL28130155 | 0.62 | MEN1 (0.36) | — | |
| SCHEMBL2714834 | 0.62 | ALDH1A1 (0.34) | — | |
| SCHEMBL2717106 | 0.62 | PTGS2 (0.35) | — | |
| SCHEMBL2713484 | 0.61 | PTGS2 (0.46) | — | |
| SCHEMBL28399167 | 0.61 | LRRK2 (0.37) | — | |
| SCHEMBL2715989 | 0.61 | CD274 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012053186-A1 | ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC. (JP) | 2012-04-26 | — | — | WO | disclosed |