⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7626664 | 0.74 | — | — | |
| SCHEMBL9130121 | 0.69 | — | — | |
| SCHEMBL28101176 | 0.66 | — | — | |
| SCHEMBL60099 | 0.65 | — | — | |
| SCHEMBL10455546 | 0.65 | — | — | |
| SCHEMBL10455547 | 0.65 | — | — | |
| SCHEMBL6055304 | 0.61 | — | — | |
| SCHEMBL5881449 | 0.61 | — | — | |
| SCHEMBL8155299 | 0.61 | — | — | |
| SCHEMBL890867 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104817581-B | A kind of siliceous dihydric phenol and preparation method thereof | 衢州学院 | 2018-01-02 | — | — | CN | disclosed |