⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1937514 | 0.81 | — | — | |
| SCHEMBL1725202 | 0.66 | — | — | |
| SCHEMBL690946 | 0.61 | DGAT1 (0.50) | — | |
| SCHEMBL1939082 | 0.58 | DGAT1 (0.41) | — | |
| SCHEMBL4028374 | 0.57 | DGAT1 (0.40) | — | |
| SCHEMBL25325201 | 0.55 | DGAT1 (0.43) | — | |
| SCHEMBL22781086 | 0.55 | — | — | |
| SCHEMBL24410839 | 0.54 | — | — | |
| SCHEMBL12055933 | 0.54 | — | — | |
| SCHEMBL19381562 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2331537-A1 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2011-06-15 | — | — | EP | disclosed |
| EP-2240475-A1 | THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS | Novartis AG (CH) | 2010-10-20 | — | — | EP | disclosed |
| WO-2010029082-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2010-03-18 | — | — | WO | disclosed |
| WO-2009080694-A1 | THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-07-02 | — | — | WO | disclosed |