⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6978593 | 0.86 | HTR1B (0.36) | — | |
| SCHEMBL6978825 | 0.79 | — | — | |
| SCHEMBL6978849 | 0.79 | — | — | |
| SCHEMBL19773496 | 0.78 | — | — | |
| SCHEMBL6976181 | 0.78 | — | — | |
| SCHEMBL13814700 | 0.78 | — | — | |
| SCHEMBL6976732 | 0.76 | — | — | |
| SCHEMBL9975320 | 0.76 | — | — | |
| SCHEMBL6978844 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL14667510 | 0.75 | MAPK1 (0.44) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3904341-A1 | R-TYPE PYRIDYLOXYCARBOXYLIC ACID, SALT AND ESTER DERIVATIVE THEREOF, AND PREPARATION METHOD THEREFOR, AND HERBICIDAL COMPOSITION AND APPLICATION THEREOF | Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) | 2021-11-03 | — | — | EP | disclosed |
| EP-1854789-B1 | QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2013-10-09 | — | — | EP | disclosed |
| US-8349857-B2 | Quinazoline derivatives having tyrosine kinase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2013-01-08 | — | — | US | disclosed |
| US-8202879-B2 | Quinazoline derivatives having tyrosine kinase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2012-06-19 | — | — | US | disclosed |
| US-20120123114-A1 | QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| US-20110257391-A1 | PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2011-10-20 | — | — | US | disclosed |
| US-20090143414-A1 | Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity | SHIONOGI & CO., LTD. (JP) | 2009-06-04 | — | — | US | disclosed |