⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL150150 | 0.83 | — | — | |
| SCHEMBL28476289 | 0.81 | HDAC4 (0.34) | — | |
| SCHEMBL1854104 | 0.81 | HDAC4 (0.34) | — | |
| SCHEMBL29952085 | 0.81 | HDAC4 (0.34) | — | |
| SCHEMBL28900523 | 0.81 | HDAC4 (0.34) | — | |
| SCHEMBL28900538 | 0.81 | HDAC4 (0.34) | — | |
| SCHEMBL28475484 | 0.81 | HDAC4 (0.34) | — | |
| SCHEMBL28904654 | 0.74 | — | — | |
| SCHEMBL19874014 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL28469386 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108178720-B | Synthetic method of 4-cyclobutyl biphenyl fluorine-containing compound | 山东盛华新材料科技股份有限公司 | 2021-04-13 | — | — | CN | disclosed |
| CN-106831845-B | Boron-containing organosilicon compounds, method for the production and use thereof | 北京康美特科技股份有限公司 | 2021-01-26 | — | — | CN | disclosed |
| CN-106854451-B | Sealing agent for solar cell module, and sealing method for solar cell module | 北京康美特科技股份有限公司 | 2020-10-02 | — | — | CN | disclosed |