⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2797852 | 0.84 | — | — | |
| SCHEMBL1882827 | 0.79 | — | — | |
| SCHEMBL28654248 | 0.75 | — | — | |
| SCHEMBL5912800 | 0.71 | — | — | |
| SCHEMBL28541519 | 0.68 | — | — | |
| SCHEMBL30995129 | 0.66 | — | — | |
| SCHEMBL28506425 | 0.63 | — | — | |
| SCHEMBL9862425 | 0.63 | — | — | |
| SCHEMBL15300251 | 0.62 | — | — | |
| SCHEMBL28918158 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115678249-A | Flame-retardant polyurethane foam and preparation method thereof | 扬州工业职业技术学院 | 2023-02-03 | — | — | CN | claimed |
| CN-115594854-A | Silicon-containing degradable surfactant and preparation method thereof | 扬州工业职业技术学院（CN） | 2023-01-13 | — | — | CN | claimed |
| CN-115678249-A | Flame-retardant polyurethane foam and preparation method thereof | 扬州工业职业技术学院 | 2023-02-03 | — | — | CN | disclosed |
| CN-115594854-A | Silicon-containing degradable surfactant and preparation method thereof | 扬州工业职业技术学院（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-115594854-A | Silicon-containing degradable surfactant and preparation method thereof | 扬州工业职业技术学院（CN） | 2023-01-13 | — | — | CN | disclosed |