⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3038751 | 0.86 | CES2 (0.50) | — | |
| SCHEMBL2842772 | 0.73 | — | — | |
| Cyclopropane Carboxylic Acid SCHEMBL6135438 | 0.71 | TSHR (0.52) | — | |
| Acetic Acid SCHEMBL1557976 | 0.71 | FFAR3 (0.47) | — | |
| SCHEMBL14798071 | 0.71 | FFAR3 (0.32) | — | |
| SCHEMBL13165512 | 0.69 | MAPT (0.38) | — | |
| SCHEMBL2617044 | 0.69 | MAPT (0.38) | — | |
| SCHEMBL76462 | 0.69 | — | — | |
| SCHEMBL13165462 | 0.69 | MAPT (0.38) | — | |
| SCHEMBL873565 | 0.67 | — | — |
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-7915280-B2 | Compounds and their uses | EISAI INC. (US) | 2011-03-29 | — | — | US | disclosed |
| US-RE41150-E1 | Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one | EISAI CORPORATION OF NORTH AMERICA (US) | 2010-02-23 | — | — | US | disclosed |
| US-7235557-B2 | Compounds and their uses | MGI GP, INC. (US) | 2007-06-26 | — | — | US | disclosed |
| US-20060142266-A1 | Compounds and their uses | MGI GP, INC. (US) | 2006-06-29 | — | — | US | disclosed |
| US-20060003987-A1 | Compounds and their uses | GUILFORD PHARMACEUTICALS, INC. (US) | 2006-01-05 | — | — | US | disclosed |
| US-20050148575-A1 | (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury | GUILFORD PHARMACEUTICALS INC. (US) | 2005-07-07 | — | — | US | disclosed |
| US-6887996-B2 | Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one | GUILFORD PHARMACEUTICALS INC. (US) | 2005-05-03 | — | — | US | disclosed |
| EP-1339402-A2 | BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 2003-09-03 | — | — | EP | disclosed |
| US-20030022883-A1 | Compounds and their use | EISAI INC. | 2003-01-30 | — | — | US | disclosed |
| WO-2002044183-A2 | BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 2002-06-06 | — | — | WO | disclosed |