⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29264288 | 0.83 | — | — | |
| SCHEMBL2906007 | 0.79 | — | — | |
| SCHEMBL6899030 | 0.79 | — | — | |
| SCHEMBL28404211 | 0.78 | — | — | |
| SCHEMBL2049611 | 0.76 | — | — | |
| SCHEMBL23070865 | 0.72 | — | — | |
| SCHEMBL1799712 | 0.72 | — | — | |
| SCHEMBL28599257 | 0.71 | — | — | |
| SCHEMBL28049267 | 0.69 | — | — | |
| SCHEMBL29040365 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106432728-B | A kind of pheiiyldimetliyl siloxy cage-type silsesquioxane silicone rubber crosslinking agent and preparation method thereof | 沈阳化工大学 | 2019-06-21 | — | — | CN | disclosed |
| CN-106750306-A | A kind of pheiiyldimetliyl siloxy cage-type silsesquioxane silicone rubber crosslinking agent and preparation method thereof | 沈阳化工大学 | 2017-05-31 | — | — | CN | disclosed |