⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3954056 | 0.67 | — | — | |
| SCHEMBL1276 | 0.61 | — | — | |
| SCHEMBL1930146 | 0.61 | — | — | |
| SCHEMBL12054244 | 0.61 | — | — | |
| SCHEMBL23646180 | 0.55 | — | — | |
| SCHEMBL10519988 | 0.55 | — | — | |
| Ammonia Solution, Strong SCHEMBL129411 | 0.55 | — | — | |
| SCHEMBL12583446 | 0.55 | — | — | |
| Phosphine SCHEMBL15477090 | 0.55 | — | — | |
| SCHEMBL20585948 | 0.55 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090137597-A1 | Novel quinoxalinone derivatives | MSD K.K. (JP) | 2009-05-28 | — | — | US | disclosed |
| US-7049304-B2 | Aryl boronic acids for treating obesity | GENZYME CORPORATION (US) | 2006-05-23 | — | — | US | disclosed |
| US-20050107336-A1 | Aryl boronic acids for treating obesity | HOLMES-FARLEY STEPHEN R (US) | 2005-05-19 | — | — | US | disclosed |
| US-6858592-B2 | Aryl boronic acids for treating obesity | GENZYME CORPORATION (US) | 2005-02-22 | — | — | US | disclosed |