⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1243572 | 0.76 | — | — | |
| SCHEMBL533329 | 0.73 | — | — | |
| SCHEMBL533302 | 0.71 | — | — | |
| SCHEMBL1360214 | 0.71 | — | — | |
| SCHEMBL12471225 | 0.70 | GBA1 (0.33) | — | |
| SCHEMBL7367240 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL4414485 | 0.69 | NOS2 (0.33) | — | |
| SCHEMBL534479 | 0.69 | L3MBTL1 (0.50) | — | |
| SCHEMBL15516653 | 0.69 | MAOB (0.32) | — | |
| SCHEMBL1335859 | 0.67 | TDP1 (0.49) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8114886-B2 | Pyridylmethylsulfone derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-02-14 | — | — | US | disclosed |
| US-8097623-B2 | 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics | BIOLIPOX AB (SE) | 2012-01-17 | — | — | US | disclosed |
| EP-1841735-B1 | INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION | BIOLIPOX AB (SE) | 2011-03-09 | — | — | EP | disclosed |
| US-20090149439-A1 | PYRIDYLMETHYSULFONE DERIVATIVE | DAIICHI SANKYO COMPANY LIMITED (JP) | 2009-06-11 | — | — | US | disclosed |
| US-20090076004-A1 | Indoles Useful in the Treatment of Inflammation | BIOLIPOX AB (SE) | 2009-03-19 | — | — | US | disclosed |
| EP-1867636-A1 | PYRIDYLMETHYLSULFONE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2007-12-19 | — | — | EP | disclosed |