⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13377142 | 0.73 | LMNA (0.48) | — | |
| SCHEMBL21882378 | 0.73 | LMNA (0.48) | — | |
| SCHEMBL14495177 | 0.73 | LMNA (0.48) | — | |
| SCHEMBL6745315 | 0.71 | — | — | |
| SCHEMBL25395371 | 0.63 | CHRM2 (0.39) | — | |
| SCHEMBL20974097 | 0.63 | CHRM2 (0.39) | — | |
| SCHEMBL26238392 | 0.63 | LMNA (0.50) | — | |
| SCHEMBL24174305 | 0.62 | — | — | |
| SCHEMBL11036944 | 0.62 | LMNA (0.57) | — | |
| SCHEMBL24995553 | 0.62 | LMNA (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170210713-A1 | PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. | 2017-07-27 | — | — | US | disclosed |
| US-9637458-B2 | Pyrimidine carboxamides as sodium channel blockers | PURDUE PHARMA L.P. | 2017-05-02 | — | — | US | disclosed |
| US-20160009659-A1 | PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. | 2016-01-14 | — | — | US | disclosed |