⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3929855 | 0.75 | — | — | |
| SCHEMBL767149 | 0.75 | DYRK1A (0.41) | — | |
| SCHEMBL445222 | 0.74 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL3488346 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL4477930 | 0.71 | CDK9 (0.41) | — | |
| SCHEMBL11669055 | 0.71 | — | — | |
| SCHEMBL4151171 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL4473650 | 0.70 | CA2 (0.32) | — | |
| SCHEMBL7108442 | 0.68 | CYP2D6 (0.33) | — | |
| SCHEMBL15515840 | 0.68 | CYP2A6 (0.58) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100016321-A1 | DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR | ASTRAZENECA AB (SE) | 2010-01-21 | — | — | US | disclosed |
| US-7582629-B2 | Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators | ASTRAZENECA AB (SE) | 2009-09-01 | — | — | US | disclosed |
| US-20080255122-A1 | Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators | ASTRAZENECA AB (SE) | 2008-10-16 | — | — | US | disclosed |
| EP-1838686-A1 | DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006073363-A1 | DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2006-07-13 | — | — | WO | disclosed |