⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19841838 | 0.80 | SLC6A2 (0.44) | — | |
| SCHEMBL18798943 | 0.75 | SLC6A2 (0.30) | — | |
| SCHEMBL16000535 | 0.75 | SLC6A2 (0.30) | — | |
| SCHEMBL17427854 | 0.75 | SLC6A2 (0.30) | — | |
| SCHEMBL13218287 | 0.75 | SIGMAR1 (0.33) | — | |
| SCHEMBL19398850 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL18574583 | 0.72 | SLC6A2 (0.32) | — | |
| SCHEMBL20272373 | 0.71 | — | — | |
| SCHEMBL1922253 | 0.65 | MAPK1 (0.52) | — | |
| SCHEMBL19194217 | 0.61 | — | — |
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-9637458-B2 | Pyrimidine carboxamides as sodium channel blockers | PURDUE PHARMA L.P. | 2017-05-02 | — | — | US | disclosed |