⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1070988 | 0.89 | CES2 (0.34) | — | |
| SCHEMBL11762971 | 0.89 | CES2 (0.34) | — | |
| SCHEMBL1715187 | 0.87 | — | — | |
| SCHEMBL237864 | 0.83 | — | — | |
| SCHEMBL5072141 | 0.83 | — | — | |
| SCHEMBL2904711 | 0.81 | CES2 (0.37) | — | |
| SCHEMBL11762256 | 0.80 | — | — | |
| SCHEMBL7640075 | 0.79 | — | — | |
| SCHEMBL1714846 | 0.79 | — | — | |
| SCHEMBL666440 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4026826-A | ALKOXYSILANES | JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JA) | 1977-05-31 | — | — | US | disclosed |