⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3541573 | 0.87 | — | — | |
| SCHEMBL3543591 | 0.82 | — | — | |
| SCHEMBL742157 | 0.74 | GPR119 (0.33) | — | |
| SCHEMBL8517346 | 0.74 | GPR119 (0.38) | — | |
| SCHEMBL14129084 | 0.71 | GPR119 (0.41) | — | |
| SCHEMBL422994 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL46361 | 0.70 | KMT2A (0.34) | — | |
| SCHEMBL19339358 | 0.70 | ALDH1A1 (0.33) | — | |
| Water SCHEMBL31387323 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL19884668 | 0.66 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1893566-A1 | CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA | MERCK SHARP & DOHME LTD. (GB) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006131711-A1 | CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA | MERCK SHARP & DOHME LIMITED (GB) | 2006-12-14 | — | — | WO | disclosed |