⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL10952009 | 0.74 | APLNR (0.32) | — | |
| SCHEMBL12037365 | 0.72 | — | — | |
| SCHEMBL12037362 | 0.72 | — | — | |
| SCHEMBL14950744 | 0.63 | — | — | |
| SCHEMBL17591493 | 0.63 | — | — | |
| SCHEMBL14950685 | 0.63 | — | — | |
| SCHEMBL20511468 | 0.63 | — | — | |
| SCHEMBL22400781 | 0.63 | — | — | |
| SCHEMBL348415 | 0.63 | — | — | |
| SCHEMBL31522812 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1515972-B1 | AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY | HOFFMANN LA ROCHE (CH) | 2009-05-13 | — | — | EP | disclosed |
| US-7135475-B2 | Antidiabetic agents | HOFFMANN-LA ROCHE INC. (US) | 2006-11-14 | — | — | US | disclosed |
| US-20040014766-A1 | Amide substituted xanthine derivatives | HOFFMANN-LA ROCHE INC. | 2004-01-22 | — | — | US | disclosed |