⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3541184 | 0.79 | CTSS (0.37) | — | |
| SCHEMBL4896725 | 0.76 | CTSS (0.31) | — | |
| SCHEMBL3539975 | 0.63 | SLC6A9 (0.33) | — | |
| SCHEMBL3548536 | 0.60 | SLC6A9 (0.34) | — | |
| SCHEMBL3539310 | 0.58 | HSD11B1 (0.33) | — | |
| SCHEMBL18231651 | 0.57 | HSD11B1 (0.39) | — | |
| SCHEMBL18855653 | 0.56 | HSD11B1 (0.41) | — | |
| SCHEMBL1543519 | 0.54 | HSD11B1 (0.44) | — | |
| SCHEMBL13148602 | 0.53 | CTSS (0.34) | — | |
| SCHEMBL3548002 | 0.53 | SLC6A9 (0.31) | — |
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 |