⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6980377 | 1.00 | — | — | |
| SCHEMBL6976634 | 0.85 | — | — | |
| SCHEMBL6959804 | 0.80 | — | — | |
| SCHEMBL6960182 | 0.80 | — | — | |
| SCHEMBL15304848 | 0.78 | — | — | |
| SCHEMBL9975260 | 0.72 | IRAK4 (0.39) | — | |
| SCHEMBL9975285 | 0.72 | IRAK4 (0.39) | — | |
| SCHEMBL9975319 | 0.72 | HTR2A (0.41) | — | |
| SCHEMBL24532528 | 0.71 | SLC6A2 (0.31) | — | |
| SCHEMBL26080553 | 0.71 | SLC6A2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8202879-B2 | Quinazoline derivatives having tyrosine kinase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2012-06-19 | — | — | US | disclosed |
| US-20090143414-A1 | Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity | SHIONOGI & CO., LTD. (JP) | 2009-06-04 | — | — | US | disclosed |