⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3913149 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL9030911 | 0.79 | PSIP1 (0.42) | — | |
| SCHEMBL23130 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL1604166 | 0.74 | KCNA3 (0.46) | — | |
| SCHEMBL49802 | 0.74 | — | — | |
| SCHEMBL6727394 | 0.74 | — | — | |
| SCHEMBL6238419 | 0.73 | JAK2 (0.33) | — | |
| SCHEMBL28739846 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL22587925 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL28360526 | 0.72 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070020684-A1 | Structure of a glucocorticoid receptor ligand binding domain comprising an expanded binding pocket and methods employing same | SMITHKLINE BEECHAM CORPORATION | 2007-01-25 | — | — | US | disclosed |
| EP-1375517-A1 | Structure of a glucocorticoid receptor ligand binding domain comprising an expanded binding pocket and methods employing same | SMITHKLINE BEECHAM CORPORATION (US) | 2004-01-02 | — | — | EP | disclosed |