⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3341089 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL14612528 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL213748 | 0.68 | MAOA (0.40) | — | |
| SCHEMBL1419127 | 0.68 | MAPT (0.34) | — | |
| SCHEMBL22801527 | 0.65 | — | — | |
| SCHEMBL3483234 | 0.65 | TRIM24 (0.39) | — | |
| SCHEMBL1419290 | 0.65 | ALDH1A1 (0.46) | — | |
| SCHEMBL3270541 | 0.64 | CYP11B2 (0.41) | — | |
| SCHEMBL17113500 | 0.64 | BMPR1B (0.35) | — | |
| SCHEMBL9087105 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1831201-B1 | PIPERIDINE AND AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS | MERCK SHARP & DOHME (GB) | 2010-08-04 | — | — | EP | disclosed |
| US-7655644-B2 | Piperidine and azetidine derivatives as GlyT1 inhibitors | MERCK SHARP & DOHME LIMITED (GB) | 2010-02-02 | — | — | US | disclosed |
| US-20080090796-A1 | Piperidine And Azetidine Derivatives As Glyt1 Inhibitors | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2008-04-17 | — | — | US | disclosed |
| EP-1831201-A1 | PIPERIDINE AND AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS | MERCK SHARP & DOHME LTD. (GB) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006067529-A1 | PIPERIDINE AND AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2006-06-29 | — | — | WO | disclosed |