⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1299314 | 1.00 | — | — | |
| SCHEMBL14530229 | 0.86 | — | — | |
| SCHEMBL14683321 | 0.86 | — | — | |
| SCHEMBL10568218 | 0.86 | — | — | |
| SCHEMBL25835030 | 0.86 | HTT (0.35) | — | |
| Iodide SCHEMBL38650964 | 0.84 | — | — | |
| SCHEMBL28006149 | 0.82 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL29008606 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL3375292 | 0.79 | — | — | |
| SCHEMBL1887121 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3405477-B1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-06-07 | — | — | EP | disclosed |
| US-20100267801-A1 | CYCLOHEXYL SULPHONES FOR TREATMENT OF CANCER | MERCK SHARP & DOHME LLC | 2010-10-21 | — | — | US | disclosed |
| 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-20080045533-A1 | Novel cyclohexyl sulphones | CHURCHER IAN | 2008-02-21 | — | — | US | disclosed |
| US-20070129364-A1 | Pyrrolopyridine kinase inhibiting compounds | OSI PHARMACEUTICALS, INC. | 2007-06-07 | — | — | US | disclosed |