⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4721663 | 0.75 | — | — | |
| SCHEMBL1193464 | 0.75 | — | — | |
| SCHEMBL4992871 | 0.75 | — | — | |
| SCHEMBL3385324 | 0.73 | — | — | |
| SCHEMBL2113300 | 0.73 | GLA (0.38) | — | |
| SCHEMBL1685344 | 0.71 | — | — | |
| SCHEMBL7072086 | 0.71 | — | — | |
| SCHEMBL2942968 | 0.71 | SIGMAR1 (0.35) | — | |
| SCHEMBL9244035 | 0.70 | — | — | |
| SCHEMBL5174927 | 0.70 | GNAI3 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2045245-B1 | INREVERSIBLE PROTEIN TYROSINE KINASES INHIBITORS AND THE PREPARATION METHODS AND USES THEREOF | TIAN JIN HEMAY BIO TECH CO LTD (CN) | 2013-10-23 | — | — | EP | claimed |
| US-8198301-B2 | Quinazoline and quinoline derivatives as irreversibe protein tyrosine kinase inhibitors | TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) | 2012-06-12 | — | — | US | claimed |
| US-20100240649-A1 | QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS | TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) | 2010-09-23 | — | — | US | claimed |
| US-7754729-B2 | Quinazoline and quinoline derivatives as irreversible protein tyrosine kinase inhibitors | TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) | 2010-07-13 | — | — | US | claimed |
| US-20090105247-A1 | QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS | TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) | 2009-04-23 | — | — | US | claimed |
| EP-2045245-A1 | INREVERSIBLE PROTEIN TYROSINE KINASES INHIBITORS AND THE PREPARATION METHODS AND USES THEREOF | Tian Jin Hemay Bio-Tech Co., Ltd. (CN) | 2009-04-08 | — | — | EP | claimed |