⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24172246 | 0.77 | HSD11B1 (0.38) | — | |
| SCHEMBL21020829 | 0.76 | — | — | |
| SCHEMBL15798123 | 0.70 | CHRM2 (0.34) | — | |
| SCHEMBL13621433 | 0.69 | — | — | |
| SCHEMBL21653689 | 0.69 | — | — | |
| SCHEMBL24081325 | 0.67 | LMNA (0.55) | — | |
| SCHEMBL24172766 | 0.63 | HSD11B1 (0.32) | — | |
| SCHEMBL669588 | 0.62 | — | — | |
| SCHEMBL10075692 | 0.60 | CYP2D6 (0.40) | — | |
| SCHEMBL10077096 | 0.60 | CYP2D6 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3293184-A1 | PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS | Purdue Pharma L.P. (US) | 2018-03-14 | — | — | EP | disclosed |