⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8535020 | 0.72 | — | — | |
| SCHEMBL22433362 | 0.71 | — | — | |
| SCHEMBL2545454 | 0.67 | — | — | |
| SCHEMBL3717073 | 0.67 | — | — | |
| SCHEMBL1856074 | 0.67 | GLA (0.35) | — | |
| SCHEMBL23630321 | 0.66 | — | — | |
| SCHEMBL153266 | 0.66 | — | — | |
| SCHEMBL15594561 | 0.65 | — | — | |
| SCHEMBL6903897 | 0.65 | — | — | |
| SCHEMBL3893951 | 0.62 | — | — |
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-2183228-A1 | CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 | Vitae Pharmaceuticals, Inc. (US) | 2010-05-12 | — | — | EP | disclosed |
| WO-2009017664-A1 | CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2009-02-05 | — | — | WO | disclosed |