⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL347464 | 0.82 | LMNA (0.40) | — | |
| SCHEMBL346747 | 0.79 | HRH3 (0.43) | — | |
| SCHEMBL9914270 | 0.77 | ALOX15 (0.36) | — | |
| SCHEMBL347313 | 0.77 | LMNA (0.36) | — | |
| SCHEMBL346522 | 0.74 | HRH3 (0.39) | — | |
| Hydrogen Sulfide SCHEMBL17888864 | 0.74 | LMNA (0.35) | — | |
| Hydrogen Sulfide SCHEMBL17888871 | 0.72 | HRH3 (0.38) | — | |
| SCHEMBL2497282 | 0.72 | — | — | |
| SCHEMBL6684236 | 0.72 | — | — | |
| SCHEMBL15168282 | 0.72 | — | — |
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-7576088-B2 | Benzodioxole derivatives | HOFFMAN-LA ROCHE INC. (US) | 2009-08-18 | — | — | US | disclosed |
| EP-1532132-B1 | NOVEL BENZODIOXOLES | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007056120-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-18 | — | — | WO | disclosed |
| US-20050143373-A1 | Benzodioxole derivatives | ALANINE ALEXANDER (FR) | 2005-06-30 | — | — | US | disclosed |
| US-6900227-B2 | Benzodioxole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-05-31 | — | — | US | disclosed |
| EP-1532132-A1 | NOVEL BENZODIOXOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-05-25 | — | — | EP | disclosed |
| US-20040142922-A1 | Benzodioxole derivatives | HOFFMANN-LA ROCHE INC. | 2004-07-22 | — | — | US | disclosed |
| WO-2004013120-A1 | NOVEL BENZODIOXOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-02-12 | — | — | WO | disclosed |