⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18335750 | 0.74 | GPR88 (0.45) | — | |
| SCHEMBL18337762 | 0.73 | SLC6A3 (0.40) | — | |
| SCHEMBL15429698 | 0.68 | SLC6A3 (0.33) | — | |
| SCHEMBL7853019 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL7851340 | 0.67 | MEN1 (0.36) | — | |
| SCHEMBL15429686 | 0.67 | SLC6A3 (0.34) | — | |
| SCHEMBL564318 | 0.64 | SLC6A3 (0.33) | — | |
| SCHEMBL27265120 | 0.63 | MEN1 (0.34) | — | |
| SCHEMBL28342064 | 0.63 | — | — | |
| SCHEMBL5658163 | 0.62 | CYP2D6 (0.35) | — |
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-2009138378-A1 | 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES | NOVARTIS AG (CH) | 2009-11-19 | — | — | WO | disclosed |