⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL416585 | 0.75 | TP53 (0.41) | — | |
| Fluoride SCHEMBL27660670 | 0.73 | TP53 (0.39) | — | |
| SCHEMBL28339152 | 0.72 | NFE2L2 (0.37) | — | |
| SCHEMBL80927 | 0.66 | TP53 (0.41) | — | |
| SCHEMBL28998330 | 0.66 | LMNA (0.43) | — | |
| Water SCHEMBL20720558 | 0.65 | TP53 (0.39) | — | |
| Fluoride SCHEMBL27660896 | 0.65 | TP53 (0.39) | — | |
| SCHEMBL15302263 | 0.63 | TP53 (0.38) | — | |
| SCHEMBL29847552 | 0.60 | TP53 (0.35) | — | |
| SCHEMBL2273902 | 0.60 | TP53 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009012022-A1 | PREPARATION OF SUPPORTED SILYL-CAPPED SILICA SILICA-BOUND ANION ACTIVATORS AND ASSOCIATED CATALYSTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2009-01-22 | — | — | WO | disclosed |