⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1887209 | 0.70 | — | — | |
| SCHEMBL4794097 | 0.68 | — | — | |
| SCHEMBL2641144 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL29002045 | 0.68 | — | — | |
| SCHEMBL9751733 | 0.67 | — | — | |
| SCHEMBL29785828 | 0.64 | — | — | |
| SCHEMBL28426172 | 0.62 | — | — | |
| SCHEMBL4794094 | 0.62 | — | — | |
| SCHEMBL26108801 | 0.61 | — | — | |
| SCHEMBL2000405 | 0.60 | PGK1 (0.30) | — |
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-118324965-A | Modified ETFE resin, preparation method thereof and application thereof in high-flame-retardance copolymerized ETFE coating | 格林斯达(北京)环保科技股份有限公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-106366105-A | Preparation method and application of difluoroallyl borate | 大连理工大学 | 2017-02-01 | — | — | CN | disclosed |
| CN-106366105-A | Preparation method and application of difluoroallyl borate | 大连理工大学 | 2017-02-01 | — | — | CN | disclosed |