⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4550341 | 0.87 | MAPT (0.33) | — | |
| Hydrochloric Acid SCHEMBL2713884 | 0.86 | MAPT (0.33) | — | |
| SCHEMBL4550462 | 0.82 | PTGS2 (0.33) | — | |
| SCHEMBL4550396 | 0.81 | AAK1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL2713841 | 0.79 | AAK1 (0.33) | — | |
| SCHEMBL4550399 | 0.79 | SCN9A (0.39) | — | |
| Hydrochloric Acid SCHEMBL2715279 | 0.78 | SCN9A (0.38) | — | |
| SCHEMBL4550848 | 0.78 | PIK3CA (0.36) | — | |
| Hydrochloric Acid SCHEMBL2716910 | 0.77 | PIK3CA (0.36) | — | |
| SCHEMBL10290355 | 0.77 | — | — |
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 |