⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1337729 | 0.81 | — | — | |
| SCHEMBL2003412 | 0.81 | — | — | |
| SCHEMBL7796655 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL26264670 | 0.69 | — | — | |
| SCHEMBL9101388 | 0.69 | — | — | |
| SCHEMBL20211956 | 0.69 | — | — | |
| SCHEMBL4388609 | 0.66 | ALDH1A1 (0.40) | — | |
| Ethane SCHEMBL27801430 | 0.66 | — | — | |
| Ethylene Glycol SCHEMBL8058726 | 0.65 | TSHR (0.46) | — | |
| Alcohol SCHEMBL10782381 | 0.64 | ALDH1A1 (0.43) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1996590-B1 | SPIROINDOLINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-10-06 | — | — | EP | disclosed |
| EP-1996590-B1 | SPIROINDOLINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-10-06 | — | — | EP | disclosed |
| US-7495007-B2 | Spiroindolinone derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-02-24 | — | — | US | disclosed |
| US-7495007-B2 | Spiroindolinone derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-02-24 | — | — | US | disclosed |
| US-7495007-B2 | Spiroindolinone derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-02-24 | — | — | US | disclosed |
| US-20090018184-A1 | Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases | UNIVERSITY OF NORTH CAROLINA AT WILMINGTON | 2009-01-15 | — | — | US | disclosed |
| EP-1996590-A1 | SPIROINDOLINONE DERIVATIVES | F. Hoffmann-la Roche AG (CH) | 2008-12-03 | — | — | EP | disclosed |
| US-7399782-B2 | Polyether brevetoxin derivatives as a treatment for cystic fibrosis, mucociliary dysfunction, and pulmonary diseases | UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) | 2008-07-15 | — | — | US | disclosed |
| US-20080009486-A1 | SPIROINDOLINONE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2008-01-10 | — | — | US | disclosed |
| US-20080009486-A1 | SPIROINDOLINONE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2008-01-10 | — | — | US | disclosed |
| US-20080009486-A1 | SPIROINDOLINONE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2008-01-10 | — | — | US | disclosed |
| WO-2007104664-A1 | SPIROINDOLINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-09-20 | — | — | WO | disclosed |
| WO-2007104664-A1 | SPIROINDOLINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-09-20 | — | — | WO | disclosed |
| US-20070213341-A1 | Spiroindolinone derivatives | CHEN LI | 2007-09-13 | — | — | US | disclosed |
| US-20070213341-A1 | Spiroindolinone derivatives | CHEN LI | 2007-09-13 | — | — | US | disclosed |
| US-20070213341-A1 | Spiroindolinone derivatives | CHEN LI | 2007-09-13 | — | — | US | disclosed |