⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7566736 | 0.79 | SOAT2 (0.60) | — | |
| SCHEMBL14194817 | 0.78 | — | — | |
| SCHEMBL7570200 | 0.75 | SOAT2 (0.50) | — | |
| SCHEMBL7575399 | 0.74 | SOAT2 (0.54) | — | |
| SCHEMBL9708149 | 0.73 | — | — | |
| SCHEMBL7570240 | 0.73 | HTR1E (0.49) | — | |
| SCHEMBL7567363 | 0.73 | HTR1E (0.49) | — | |
| SCHEMBL7567472 | 0.73 | — | — | |
| SCHEMBL7568224 | 0.73 | SOAT2 (0.56) | — | |
| SCHEMBL7568088 | 0.73 | SOAT2 (0.56) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020183384-A1 | Methods of treating nuclear factor-kappa B mediated diseases and disorders | CORNICELLI JOSEPH ANTHONY (US) | 2002-12-05 | — | — | US | disclosed |
| CN-1370526-A | Treating method of nuclear factor-KB mediated diseases and dysfuction | WANER LONGBER CO (US) | 2002-09-25 | — | — | CN | disclosed |
| EP-1236468-A1 | Sulfonylaminocarbonyl derivatives for the treatment of nuclear factor-kappa B mediated diseases and disorders | WARNER-LAMBERT COMPANY (US) | 2002-09-04 | — | — | EP | disclosed |