⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25201476 | 0.84 | — | — | |
| Pentane SCHEMBL27652272 | 0.81 | — | — | |
| Hexane SCHEMBL27672439 | 0.81 | — | — | |
| SCHEMBL2403515 | 0.80 | — | — | |
| Decane SCHEMBL19837275 | 0.78 | TSHR (0.57) | — | |
| Decane SCHEMBL18527008 | 0.78 | TSHR (0.57) | — | |
| SCHEMBL18527010 | 0.78 | TSHR (0.57) | — | |
| Hexadecane SCHEMBL18527001 | 0.78 | TSHR (0.57) | — | |
| Tetradecane SCHEMBL18526993 | 0.78 | TSHR (0.57) | — | |
| Heptane SCHEMBL29068431 | 0.78 | TSHR (0.57) | — |
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-106188449-A | A kind of multilayered structure flame-retardant additive and its preparation method and application | 中国科学院宁波材料技术与工程研究所 | 2016-12-07 | — | — | CN | claimed |
| CN-117720773-A | Modified flame retardant and preparation method and application thereof | 浙江新化化工股份有限公司 | 2024-03-19 | — | — | CN | disclosed |
| CN-106188449-A | A kind of multilayered structure flame-retardant additive and its preparation method and application | 中国科学院宁波材料技术与工程研究所 | 2016-12-07 | — | — | CN | disclosed |