⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18398793 | 0.86 | CHRNA3 (0.46) | — | |
| SCHEMBL24674661 | 0.82 | CHRNA3 (0.38) | — | |
| SCHEMBL25754246 | 0.80 | CHRNA3 (0.37) | — | |
| SCHEMBL4955378 | 0.78 | CHRNA3 (0.41) | — | |
| SCHEMBL10273866 | 0.78 | — | — | |
| SCHEMBL3330177 | 0.78 | — | — | |
| SCHEMBL8288146 | 0.78 | CHRNA3 (0.41) | — | |
| SCHEMBL10273867 | 0.78 | — | — | |
| SCHEMBL14042599 | 0.77 | — | — | |
| SCHEMBL10273859 | 0.77 | CHRNA3 (0.44) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170355677-A1 | SYNTHESIS OF 2-CARBOXAMIDE CYCLOAMINO UREA DERIVATIVES | NOVARTIS AG (CH) | 2017-12-14 | — | — | US | disclosed |
| 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 |
| 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 |
| US-20040142922-A1 | Benzodioxole derivatives | HOFFMANN-LA ROCHE INC. | 2004-07-22 | — | — | US | disclosed |