⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL994278 | 0.73 | — | — | |
| SCHEMBL632832 | 0.69 | LPL (0.31) | — | |
| SCHEMBL2504015 | 0.65 | NOTUM (0.33) | — | |
| SCHEMBL30776600 | 0.64 | GRM2 (0.32) | — | |
| SCHEMBL993855 | 0.64 | KCNH2 (0.44) | — | |
| SCHEMBL3450328 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL4488558 | 0.61 | HTR2C (0.42) | — | |
| SCHEMBL444893 | 0.58 | SLC6A2 (0.42) | — | |
| SCHEMBL30021978 | 0.58 | CYP11B1 (0.37) | — | |
| SCHEMBL4485147 | 0.58 | CDC7 (0.39) | — |
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-2205610-B1 | THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-11-20 | — | — | EP | disclosed |
| EP-2158207-B1 | THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE | HOFFMANN LA ROCHE (CH) | 2011-05-25 | — | — | EP | disclosed |