⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6979956 | 0.90 | — | — | |
| SCHEMBL6956377 | 0.81 | — | — | |
| SCHEMBL13205550 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL13204881 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL13204977 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL6979996 | 0.75 | — | — | |
| SCHEMBL680277 | 0.73 | NLRP3 (0.39) | — | |
| SCHEMBL6977753 | 0.72 | — | — | |
| SCHEMBL13589487 | 0.72 | CA2 (0.37) | — | |
| SCHEMBL6958113 | 0.72 | — | — |
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 |