⚠ 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 | |
|---|---|---|---|---|
| 2-Ethoxyethanol SCHEMBL4686 | 0.91 | — | — | |
| 2-Ethoxyethanol SCHEMBL9432157 | 0.91 | ALDH1A1 (1.00) | — | |
| 2-Ethoxyethanol SCHEMBL11024472 | 0.91 | ALDH1A1 (1.00) | — | |
| 2-Ethoxyethanol SCHEMBL9547497 | 0.91 | ALDH1A1 (1.00) | — | |
| 2-Ethoxyethanol SCHEMBL8911933 | 0.88 | — | — | |
| 2-Ethoxyethanol SCHEMBL337831 | 0.88 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL6550626 | 0.88 | ALDH1A1 (0.93) | — | |
| 2-Ethoxyethanol SCHEMBL10491734 | 0.88 | ALDH1A1 (0.93) | — | |
| 2-Ethoxyethanol SCHEMBL8056895 | 0.88 | ALDH1A1 (0.93) | — | |
| 2-Ethoxyethanol SCHEMBL7088937 | 0.88 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108396313-B | A kind of heat treatment method reducing inkjet printing film surface crackle | 华南理工大学 | 2019-11-15 | — | — | CN | claimed |