⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4762116 | 0.89 | — | — | |
| SCHEMBL9289716 | 0.83 | KDM5B (0.33) | — | |
| SCHEMBL7502585 | 0.78 | PTGS2 (0.32) | — | |
| SCHEMBL2493955 | 0.75 | — | — | |
| SCHEMBL22102953 | 0.74 | KDM5B (0.30) | — | |
| SCHEMBL857517 | 0.73 | PDE4A (0.30) | — | |
| SCHEMBL21725528 | 0.72 | PDPK1 (0.35) | — | |
| SCHEMBL30229716 | 0.70 | — | — | |
| SCHEMBL6718290 | 0.70 | — | — | |
| SCHEMBL25463397 | 0.70 | CHRM4 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| EP-2078721-B1 | Thieno-pyrimidine compounds having fungicidal activity | DOW AGROSCIENCES LLC (US) | 2014-01-22 | — | — | EP | disclosed |
| CN-103459384-A | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS INC | 2013-12-18 | — | — | CN | disclosed |
| EP-2078721-A2 | Thieno-pyrimidime compounds having fungicidal activity | Dow AgroSciences LLC (US) | 2009-07-15 | — | — | EP | disclosed |
| US-7531482-B2 | Thieno-pyrimidine compounds having fungicidal activity | DOW AGROSCIENCES LLC (US) | 2009-05-12 | — | — | US | disclosed |
| EP-1937691-A1 | THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY | Dow Agrosciences LLC (US) | 2008-07-02 | — | — | EP | disclosed |
| US-20070093498-A1 | Thieno-pyrimidine compounds having fungicidal activity | BREWSTER WILLIAM K | 2007-04-26 | — | — | US | disclosed |
| WO-2007046809-A1 | THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY | DOW AGROSCIENCES LLC (US) | 2007-04-26 | — | — | WO | disclosed |