⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6960117 | 0.88 | PIK3CD (0.40) | — | |
| SCHEMBL14878200 | 0.80 | LMNA (0.30) | — | |
| SCHEMBL6960168 | 0.74 | — | — | |
| SCHEMBL6978543 | 0.71 | LMNA (0.34) | — | |
| SCHEMBL6959150 | 0.69 | — | — | |
| SCHEMBL6958766 | 0.68 | — | — | |
| SCHEMBL9320446 | 0.68 | CHRNB2 (0.36) | — | |
| SCHEMBL6959079 | 0.67 | — | — | |
| SCHEMBL6957667 | 0.67 | — | — | |
| SCHEMBL6958096 | 0.66 | KDM4E (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9951051-B2 | Process for producing alkynylketone derivative | SHIONOGI & CO., LTD. (JP) | 2018-04-24 | — | — | US | disclosed |
| US-9951051-B2 | Process for producing alkynylketone derivative | SHIONOGI & CO., LTD. (JP) | 2018-04-24 | — | — | US | disclosed |
| US-20170197943-A1 | PROCESS FOR PRODUCING ALKYNYLKETONE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-07-13 | — | — | US | disclosed |
| US-20170197943-A1 | PROCESS FOR PRODUCING ALKYNYLKETONE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-07-13 | — | — | US | disclosed |
| US-8426589-B2 | Process for production of quinazoline derivative | SHIONOGI & CO., LTD. (JP) | 2013-04-23 | — | — | US | 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 |