⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18685659 | 0.80 | — | — | |
| SCHEMBL8248559 | 0.76 | — | — | |
| SCHEMBL16054816 | 0.75 | NFKB1 (0.33) | — | |
| SCHEMBL15128838 | 0.72 | NFKB1 (0.38) | — | |
| SCHEMBL21163102 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL12153455 | 0.70 | — | — | |
| SCHEMBL13370647 | 0.70 | — | — | |
| SCHEMBL13716668 | 0.70 | — | — | |
| SCHEMBL13522738 | 0.69 | — | — | |
| SCHEMBL19311801 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1670787-B1 | CYTOKINE INHIBITORS | ITHERX PHARMA INC (US) | 2012-05-30 | — | — | EP | disclosed |