⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9975258 | 0.85 | HRH3 (0.31) | — | |
| SCHEMBL6979681 | 0.85 | HRH3 (0.31) | — | |
| SCHEMBL6959693 | 0.84 | — | — | |
| SCHEMBL6959791 | 0.84 | — | — | |
| SCHEMBL15304846 | 0.81 | LTA4H (0.39) | — | |
| SCHEMBL6959695 | 0.69 | L3MBTL1 (0.38) | — | |
| SCHEMBL15304819 | 0.68 | — | — | |
| SCHEMBL6958274 | 0.68 | CHRM3 (0.30) | — | |
| SCHEMBL6959114 | 0.68 | CHRM3 (0.30) | — | |
| SCHEMBL3895146 | 0.67 | POLB (0.42) | — |
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-8349857-B2 | Quinazoline derivatives having tyrosine kinase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2013-01-08 | — | — | US | disclosed |
| US-20120123114-A1 | QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |