⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4550474 | 0.85 | MAPT (0.34) | — | |
| Hydrochloric Acid SCHEMBL2716088 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL4550310 | 0.79 | LOXL2 (0.35) | — | |
| SCHEMBL4550757 | 0.78 | SCN9A (0.35) | — | |
| SCHEMBL4550342 | 0.78 | SCN9A (0.40) | — | |
| Hydrochloric Acid SCHEMBL2715838 | 0.77 | SCN9A (0.35) | — | |
| Hydrochloric Acid SCHEMBL2717080 | 0.77 | SCN9A (0.39) | — | |
| SCHEMBL4550398 | 0.77 | — | — | |
| SCHEMBL10290353 | 0.76 | DHFR (0.31) | — | |
| Hydrochloric Acid SCHEMBL2713173 | 0.75 | DHFR (0.30) | — |
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 |