⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5549485 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL18034654 | 0.79 | — | — | |
| SCHEMBL6990662 | 0.76 | — | — | |
| SCHEMBL6973009 | 0.71 | — | — | |
| SCHEMBL226139 | 0.70 | HSD17B10 (0.57) | — | |
| SCHEMBL23554965 | 0.68 | HPGD (0.48) | — | |
| SCHEMBL27449327 | 0.68 | GAA (0.42) | — | |
| SCHEMBL11762144 | 0.68 | MAPT (0.48) | — | |
| SCHEMBL7090460 | 0.67 | HSD17B10 (0.43) | — | |
| SCHEMBL698363 | 0.67 | HTT (0.48) | — |
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-1776350-A1 | NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE ( BACE ) | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006017844-A1 | NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-02-16 | — | — | WO | disclosed |