⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3948768 | 0.94 | — | — | |
| SCHEMBL1710431 | 0.74 | — | — | |
| SCHEMBL16759067 | 0.73 | — | — | |
| SCHEMBL9734864 | 0.73 | CYP2C19 (0.31) | — | |
| SCHEMBL9734862 | 0.73 | CYP2C19 (0.31) | — | |
| SCHEMBL5473755 | 0.70 | — | — | |
| SCHEMBL5469923 | 0.70 | — | — | |
| SCHEMBL16053423 | 0.69 | — | — | |
| SCHEMBL25365469 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL31691566 | 0.69 | MEN1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2094683-A2 | BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS | SmithKline Beecham Corporation (US) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008070692-A2 | BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-06-12 | — | — | WO | disclosed |