⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6787192 | 0.94 | — | — | |
| SCHEMBL644409 | 0.85 | — | — | |
| SCHEMBL25415103 | 0.79 | — | — | |
| SCHEMBL129233 | 0.76 | — | — | |
| SCHEMBL6784476 | 0.76 | — | — | |
| SCHEMBL3757204 | 0.76 | — | — | |
| SCHEMBL931214 | 0.76 | — | — | |
| SCHEMBL304262 | 0.75 | — | — | |
| SCHEMBL4255204 | 0.74 | — | — | |
| SCHEMBL6790303 | 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 |
|---|---|---|---|---|---|---|---|
| US-20040259992-A1 | Two-component adhesion promoter combination of an unsaturated alkoxysilane and a mercaptoalkyl alkoxysilane, for use in dental prostheses | 3M ESPE AG (DE) | 2004-12-23 | — | — | US | disclosed |