⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27977826 | 0.87 | SPHK1 (0.40) | — | |
| SCHEMBL28317431 | 0.87 | SPHK1 (0.40) | — | |
| SCHEMBL26963084 | 0.83 | — | — | |
| SCHEMBL28836412 | 0.80 | GUSB (0.35) | — | |
| SCHEMBL29204993 | 0.78 | GAA (0.33) | — | |
| SCHEMBL28389795 | 0.77 | — | — | |
| SCHEMBL29042466 | 0.76 | — | — | |
| SCHEMBL8460291 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29204950 | 0.76 | GAA (0.32) | — | |
| SCHEMBL28281031 | 0.76 | — | — |
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-114437018-B | Method for preparing 1, 4-dioxane compound by dehydration cyclization of diol compound | 中国科学院化学研究所 | 2023-06-20 | — | — | CN | claimed |
| CN-108508593-B | Polar fluid for electrowetting display and electrowetting display | 华南师范大学 | 2021-03-05 | — | — | CN | claimed |
| CN-114436786-A | Method for preparing ether compound by dehydration of monohydric alcohol | 中国科学院化学研究所 | 2022-05-06 | — | — | CN | disclosed |
| CN-108508593-B | Polar fluid for electrowetting display and electrowetting display | 华南师范大学 | 2021-03-05 | — | — | CN | disclosed |