⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1415079 | 0.73 | — | — | |
| SCHEMBL1246823 | 0.73 | — | — | |
| SCHEMBL10880153 | 0.71 | — | — | |
| SCHEMBL6523333 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL24760 | 0.69 | — | — | |
| SCHEMBL1416052 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11149001 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL31267456 | 0.66 | ALDH1A1 (0.47) | — | |
| Bromide SCHEMBL29640683 | 0.66 | — | — | |
| Water SCHEMBL28721441 | 0.66 | — | — |
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-0929530-B1 | QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ASTRAZENECA AB (SE) | 2002-11-20 | — | — | EP | claimed |