⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28184536 | 0.98 | ING2 (0.31) | — | |
| SCHEMBL6230255 | 0.78 | — | — | |
| SCHEMBL6206932 | 0.78 | — | — | |
| SCHEMBL30961655 | 0.60 | — | — | |
| SCHEMBL329160 | 0.58 | — | — | |
| Sulfuric Acid SCHEMBL17672948 | 0.52 | CA5A (0.50) | — | |
| Sulfuric Acid SCHEMBL1447516 | 0.51 | — | — | |
| Sulfuric Acid SCHEMBL10592337 | 0.51 | CA5A (0.86) | — | |
| Sulfuric Acid SCHEMBL29460851 | 0.51 | — | — | |
| SCHEMBL29185367 | 0.49 | CA5A (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100486973-C | Novel benzodioxoles | HOFFMANN LA ROCHE (CH) | 2009-05-13 | — | — | CN | claimed |
| CN-1671684-A | New benzodioxoles | HOFFMANN LA ROCHE (CH) | 2005-09-21 | — | — | CN | claimed |
| CN-101516837-A | Sulfonamide derivatives | HOFFMANN LA ROCHE (CH) | 2009-08-26 | — | — | CN | disclosed |
| CN-100486973-C | Novel benzodioxoles | HOFFMANN LA ROCHE (CH) | 2009-05-13 | — | — | CN | disclosed |
| CN-1671684-A | New benzodioxoles | HOFFMANN LA ROCHE (CH) | 2005-09-21 | — | — | CN | disclosed |
| EP-1532132-A1 | NOVEL BENZODIOXOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004013120-A1 | NOVEL BENZODIOXOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-02-12 | — | — | WO | disclosed |