⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL906626 | 0.78 | — | — | |
| SCHEMBL1777818 | 0.77 | — | — | |
| SCHEMBL167589 | 0.77 | — | — | |
| SCHEMBL6959924 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL10741447 | 0.76 | — | — | |
| SCHEMBL5489826 | 0.74 | TAAR1 (0.40) | — | |
| SCHEMBL3531301 | 0.73 | — | — | |
| Phosphoric Acid SCHEMBL4317328 | 0.72 | ADRA2B (0.44) | — | |
| SCHEMBL15761494 | 0.72 | HTR1D (0.42) | — | |
| SCHEMBL1362592 | 0.72 | NISCH (0.65) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1797051-B1 | BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES | HOFFMANN LA ROCHE (CH) | 2010-08-11 | — | — | EP | claimed |
| EP-1797051-A1 | BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES | F. Hoffmann-Roche AG (CH) | 2007-06-20 | — | — | EP | claimed |
| WO-2006037481-A1 | BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-04-13 | — | — | WO | claimed |
| EP-1797051-B1 | BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES | HOFFMANN LA ROCHE (CH) | 2010-08-11 | — | — | EP | disclosed |
| US-7378415-B2 | Benzoxazine and quinoxaline derivatives and uses thereof | ROCHE PALO ALTO LLC (US) | 2008-05-27 | — | — | US | disclosed |
| EP-1797051-A1 | BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES | F. Hoffmann-Roche AG (CH) | 2007-06-20 | — | — | EP | disclosed |
| US-20060106012-A1 | Benzoxazine and quinoxaline derivatives and uses thereof | ROCHE PALO ALTO LLC | 2006-05-18 | — | — | US | disclosed |
| WO-2006037481-A1 | BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-04-13 | — | — | WO | disclosed |
| EP-0034126-B1 | COSMETIC AND DERMATOLOGICAL COMPOSITIONS FOR SHAVING THE SKIN | Maggesi, Luigi (IT) | 1984-07-04 | — | — | EP | disclosed |