⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3365624 | 1.00 | — | — | |
| SCHEMBL18071226 | 1.00 | — | — | |
| SCHEMBL15524682 | 0.71 | — | — | |
| SCHEMBL10627773 | 0.71 | — | — | |
| SCHEMBL10627781 | 0.71 | — | — | |
| SCHEMBL12654731 | 0.71 | — | — | |
| SCHEMBL4271868 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL295674 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL295675 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL8648109 | 0.69 | ALDH1A1 (0.34) | — |
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 14 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 |
| EP-1996590-A1 | SPIROINDOLINONE DERIVATIVES | F. Hoffmann-la Roche AG (CH) | 2008-12-03 | — | — | EP | 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 |