⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13137817 | 0.77 | HSD11B1 (0.30) | — | |
| SCHEMBL13137823 | 0.77 | HSD11B1 (0.30) | — | |
| SCHEMBL8243237 | 0.77 | APLNR (0.38) | — | |
| SCHEMBL3042382 | 0.77 | APLNR (0.38) | — | |
| SCHEMBL14323215 | 0.77 | — | — | |
| SCHEMBL3051950 | 0.74 | — | — | |
| SCHEMBL7414222 | 0.68 | HSD11B1 (0.35) | — | |
| SCHEMBL24230071 | 0.68 | HSD11B1 (0.33) | — | |
| SCHEMBL5806585 | 0.68 | HSD11B1 (0.33) | — | |
| SCHEMBL1817867 | 0.68 | HSD11B1 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100222317-A1 | Azetidine Derivatives as GlyT1 Inhibitors | MERCK SHARP & DOHME LIMITED (GB) | 2010-09-02 | — | — | US | disclosed |
| US-20100222317-A1 | Azetidine Derivatives as GlyT1 Inhibitors | MERCK SHARP & DOHME LIMITED (GB) | 2010-09-02 | — | — | US | disclosed |
| US-20100222317-A1 | Azetidine Derivatives as GlyT1 Inhibitors | MERCK SHARP & DOHME LIMITED (GB) | 2010-09-02 | — | — | US | disclosed |
| EP-1960360-A1 | AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS | MERCK SHARP & DOHME LTD. (GB) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007060484-A1 | AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007060484-A1 | AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2007-05-31 | — | — | WO | disclosed |