⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4823292 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL13017474 | 0.73 | NPC1 (0.42) | — | |
| SCHEMBL13676451 | 0.72 | CHRNA7 (0.42) | — | |
| SCHEMBL4912207 | 0.70 | LMNA (0.39) | — | |
| SCHEMBL11415235 | 0.70 | KEAP1 (0.41) | — | |
| SCHEMBL19313452 | 0.70 | KDM4E (0.46) | — | |
| SCHEMBL27316152 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL2127212 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL27450984 | 0.68 | ALDH1A1 (0.45) | — | |
| SCHEMBL27316051 | 0.68 | DUT (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7598386-B2 | Sulphones which modulate the action of gamma-secretase | MERCK SHARP & DOHME LIMITED (GB) | 2009-10-06 | — | — | US | disclosed |
| US-7595344-B2 | Sulphones which modulate the action of gamma secretase | MERCK SHARP & DOHME LIMITED (GB) | 2009-09-29 | — | — | US | disclosed |
| US-20090131419-A1 | Sulphones which modulate the action of gamma secretase | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2009-05-21 | — | — | US | disclosed |
| US-20070213329-A1 | Sulphones which modulate the action of gammasecretase | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2007-09-13 | — | — | US | disclosed |