⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8850226 | 0.80 | — | — | |
| SCHEMBL10521326 | 0.77 | — | — | |
| SCHEMBL1223433 | 0.75 | — | — | |
| SCHEMBL865476 | 0.75 | — | — | |
| SCHEMBL641175 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL1222657 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL710882 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL1223154 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL1898495 | 0.72 | — | — | |
| SCHEMBL8676748 | 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-117907179-A | Oil mist content detection method and application thereof | 中国人民解放军军事科学院军事医学研究院 | 2024-04-19 | — | — | CN | disclosed |
| CN-112645794-B | Preparation method of hexafluoro-1,3-butadiene | 山东东岳化工有限公司 | 2022-12-27 | — | — | CN | disclosed |
| CN-112645794-A | Preparation method of hexafluoro-1, 3-butadiene | 山东东岳化工有限公司 | 2021-04-13 | — | — | CN | disclosed |