⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14742077 | 0.71 | — | — | |
| SCHEMBL1516311 | 0.71 | — | — | |
| SCHEMBL14738024 | 0.71 | — | — | |
| SCHEMBL3087483 | 0.71 | — | — | |
| SCHEMBL1289816 | 0.71 | — | — | |
| SCHEMBL4324435 | 0.71 | — | — | |
| SCHEMBL8669765 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL5485937 | 0.69 | — | — | |
| SCHEMBL2702097 | 0.69 | — | — | |
| SCHEMBL27486449 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2625169-A1 | QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS | Purdue Pharma L.P. (US) | 2013-08-14 | — | — | EP | disclosed |
| WO-2012046132-A1 | QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. (US) | 2012-04-12 | — | — | WO | disclosed |