⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4193145 | 0.80 | MAPT (0.32) | — | |
| SCHEMBL7511888 | 0.79 | DGAT1 (0.30) | — | |
| SCHEMBL8637167 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL7037128 | 0.72 | — | — | |
| SCHEMBL4201468 | 0.70 | MAPT (0.34) | — | |
| SCHEMBL8515583 | 0.69 | — | — | |
| SCHEMBL4039336 | 0.69 | POLB (0.30) | — | |
| SCHEMBL10073360 | 0.69 | KDM5A (0.33) | — | |
| SCHEMBL12479350 | 0.68 | — | — | |
| SCHEMBL16462803 | 0.67 | GSR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |