⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL626590 | 0.88 | — | — | |
| SCHEMBL7924938 | 0.78 | — | — | |
| SCHEMBL39492 | 0.72 | — | — | |
| Tert-Butanol SCHEMBL282 | 0.72 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL3628456 | 0.72 | — | — | |
| SCHEMBL51749 | 0.72 | — | — | |
| SCHEMBL2415742 | 0.72 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL1904241 | 0.72 | — | — |
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-1453886-B1 | Silane-based resins that can be photochemically and/or thermally structured and single-step method for their production | FRAUNHOFER GES FORSCHUNG (DE) | 2008-07-02 | — | — | EP | claimed |