⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11883308 | 0.86 | HIF1A (0.37) | — | |
| SCHEMBL4194302 | 0.78 | — | — | |
| SCHEMBL14185497 | 0.76 | GABRR1 (0.36) | — | |
| SCHEMBL13508754 | 0.76 | — | — | |
| SCHEMBL3770243 | 0.71 | CYP1A2 (0.35) | — | |
| SCHEMBL8569125 | 0.71 | PTPN1 (0.41) | — | |
| SCHEMBL19403882 | 0.70 | NNMT (0.32) | — | |
| SCHEMBL1259103 | 0.69 | — | — | |
| SCHEMBL15957896 | 0.69 | PTPN1 (0.39) | — | |
| SCHEMBL18755168 | 0.68 | GABRR1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1581477-B1 | CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS | 4SC AG (DE) | 2009-12-02 | — | — | EP | disclosed |
| US-7071355-B2 | Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents | 4 SC AG (DE) | 2006-07-04 | — | — | US | disclosed |
| EP-1581477-A1 | CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS | 4SC AG (DE) | 2005-10-05 | — | — | EP | disclosed |
| US-20040176458-A1 | Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents | 4 SC AG (DE) | 2004-09-09 | — | — | US | disclosed |
| WO-2004056746-A1 | CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS | 4SC AG (DE) | 2004-07-08 | — | — | WO | disclosed |