⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3052215 | 0.85 | — | — | |
| SCHEMBL13137823 | 0.82 | HSD11B1 (0.30) | — | |
| SCHEMBL13137817 | 0.82 | HSD11B1 (0.30) | — | |
| SCHEMBL8243237 | 0.75 | APLNR (0.38) | — | |
| SCHEMBL3042382 | 0.75 | APLNR (0.38) | — | |
| SCHEMBL3055401 | 0.72 | — | — | |
| SCHEMBL3047228 | 0.72 | HSD11B1 (0.31) | — | |
| SCHEMBL13726548 | 0.72 | INPP5A (0.37) | — | |
| SCHEMBL3051950 | 0.72 | — | — | |
| SCHEMBL14323215 | 0.71 | — | — |
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 1 patent. 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 |