⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3037140 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL23569409 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL28199356 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL11486082 | 0.69 | DAO (0.34) | — | |
| SCHEMBL9178085 | 0.68 | — | — | |
| SCHEMBL2888207 | 0.64 | GSK3B (0.36) | — | |
| SCHEMBL384644 | 0.64 | TRPV4 (0.38) | — | |
| SCHEMBL6432730 | 0.64 | — | — | |
| SCHEMBL1416183 | 0.64 | CES2 (0.38) | — | |
| SCHEMBL17192 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6890956-B2 | Cyclohexyl sulphones as gamma-secretase inhibitors | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-10 | — | — | US | disclosed |
| US-20040121995-A1 | Cyclohexyl sulphones as gamma-secretase inhibitors | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2004-06-24 | — | — | US | disclosed |