⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28966474 | 0.79 | — | — | |
| SCHEMBL28413376 | 0.78 | — | — | |
| SCHEMBL892297 | 0.77 | — | — | |
| SCHEMBL2118308 | 0.77 | — | — | |
| SCHEMBL5799767 | 0.74 | — | — | |
| SCHEMBL2137894 | 0.73 | — | — | |
| SCHEMBL19066138 | 0.72 | — | — | |
| SCHEMBL29037882 | 0.72 | ALDH1A1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL29132440 | 0.71 | — | — | |
| SCHEMBL16825106 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117832755-A | Functional diaphragm for lithium-sulfur battery and preparation method thereof | 成都职业技术学院 | 2024-04-05 | — | — | CN | disclosed |
| CN-117219865-A | Local high-concentration electrolyte with flame retardant property for lithium ion battery | 常州大学 | 2023-12-12 | — | — | CN | disclosed |
| CN-116315071-A | Wide-temperature solid electrolyte | 上海交通大学绍兴新能源与分子工程研究院 | 2023-06-23 | — | — | CN | disclosed |
| CN-105601517-B | A kind of synthetic method of 3,3,3 trifluoroacetic acid methyl esters | 西安近代化学研究所 | 2017-12-22 | — | — | CN | disclosed |