⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL900731 | 0.80 | ALOX15 (0.35) | — | |
| SCHEMBL676545 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL1068538 | 0.76 | POLB (0.36) | — | |
| SCHEMBL1069262 | 0.76 | MAPT (0.36) | — | |
| SCHEMBL15352571 | 0.73 | NPSR1 (0.37) | — | |
| SCHEMBL4885519 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL17134126 | 0.73 | ALDH1A3 (0.30) | — | |
| SCHEMBL7482415 | 0.72 | — | — | |
| SCHEMBL15474939 | 0.72 | — | — | |
| SCHEMBL15352801 | 0.72 | PDE2A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9862691-B2 | Cyclic triazo and diazo sodium channel blockers | UNIVERSITY OF GREENWICH (GB) | 2018-01-09 | — | — | US | claimed |
| US-20160311784-A1 | CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS | UNIVERSITY OF GREENWICH (GB) | 2016-10-27 | — | — | US | claimed |