⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL908621 | 0.81 | — | — | |
| SCHEMBL10997387 | 0.78 | CHRM2 (0.33) | — | |
| SCHEMBL5868627 | 0.75 | CHRM2 (0.36) | — | |
| SCHEMBL177205 | 0.75 | — | — | |
| SCHEMBL6653691 | 0.75 | CHRM2 (0.52) | — | |
| SCHEMBL14141163 | 0.75 | CHRM2 (0.52) | — | |
| SCHEMBL12476221 | 0.75 | CHRM2 (0.42) | — | |
| SCHEMBL10449210 | 0.75 | CHRM2 (0.52) | — | |
| Ammonia Solution, Strong SCHEMBL28770241 | 0.72 | — | — | |
| SCHEMBL28780475 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7655675-B2 | Gamma-secretase inhibitors | MERCK SHARP & DOHME LIMITED (GB) | 2010-02-02 | — | — | US | disclosed |
| EP-1551797-B1 | CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | MERCK SHARP & DOHME (GB) | 2007-02-21 | — | — | EP | disclosed |
| US-7101895-B2 | Cyclohexyl sulphone derivatives as gamma-secretase inhibitors | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-05 | — | — | US | disclosed |
| EP-1551797-A1 | CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | MERCK SHARP & DOHME LTD. (GB) | 2005-07-13 | — | — | EP | disclosed |
| US-20050075320-A1 | Gamma-secretase inhibitors | MERCK SHARP & DOHME LTD. (GB) | 2005-04-07 | — | — | US | disclosed |
| US-20040122050-A1 | Cyclohexyl sulphone derivatives as gamma-secretase inhibitors | MERCK SHARP & DOHME LTD. (GB) | 2004-06-24 | — | — | US | disclosed |
| WO-2004031137-A1 | CYCLOHEXYL SULPHONE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS | MERCK SHARP & DOHME LIMITED (GB) | 2004-04-15 | — | — | WO | disclosed |