⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4974635 | 0.72 | MAPK1 (0.30) | — | |
| SCHEMBL4974655 | 0.70 | MAPK1 (0.31) | — | |
| SCHEMBL3469140 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL6995492 | 0.69 | ACE (0.39) | — | |
| SCHEMBL4968832 | 0.68 | ALDH1A1 (0.49) | — | |
| SCHEMBL6984958 | 0.67 | INMT (0.34) | — | |
| SCHEMBL874920 | 0.67 | ALOX15 (0.31) | — | |
| SCHEMBL1219320 | 0.67 | — | — | |
| SCHEMBL6686488 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL6943936 | 0.62 | ALDH1A1 (0.31) | — |
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-2002092578-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2002-11-21 | — | — | WO | disclosed |