⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194022 | 0.72 | — | — | |
| SCHEMBL1238565 | 0.68 | — | — | |
| SCHEMBL4189158 | 0.66 | PARP1 (0.37) | — | |
| SCHEMBL2925703 | 0.65 | — | — | |
| SCHEMBL135947 | 0.64 | — | — | |
| SCHEMBL1672572 | 0.64 | — | — | |
| SCHEMBL8631551 | 0.62 | — | — | |
| SCHEMBL5800970 | 0.62 | — | — | |
| SCHEMBL135688 | 0.61 | ALDH1A1 (0.43) | — | |
| SCHEMBL1287814 | 0.59 | — | — |
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-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-20090076004-A1 | Indoles Useful in the Treatment of Inflammation | BIOLIPOX AB (SE) | 2009-03-19 | — | — | US | disclosed |
| EP-1841735-A1 | INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION | Biolipox AB (SE) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006077366-A1 | INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION | BIOLIPOX AB (SE) | 2006-07-27 | — | — | WO | disclosed |