⚠ 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 | |
|---|---|---|---|---|
| Diethylene Glycol Monoethyl Ether SCHEMBL28017328 | 0.95 | ALDH1A1 (0.64) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL11212636 | 0.84 | TSHR (0.62) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL8622738 | 0.84 | TSHR (0.62) | — | |
| 2-Ethoxyethanol SCHEMBL9547497 | 0.84 | ALDH1A1 (1.00) | — | |
| 2-Ethoxyethanol SCHEMBL4686 | 0.84 | — | — | |
| 2-Ethoxyethanol SCHEMBL11024472 | 0.84 | ALDH1A1 (1.00) | — | |
| 2-Ethoxyethanol SCHEMBL9432157 | 0.84 | ALDH1A1 (1.00) | — | |
| Triethylene Glycol SCHEMBL28852081 | 0.81 | MEN1 (0.65) | — | |
| Tetraethylene Glycol SCHEMBL29291481 | 0.81 | MEN1 (0.65) | — | |
| 2-Ethoxyethanol SCHEMBL8911933 | 0.81 | — | — |
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-110156996-A | Monoblocking reaction organosilicon and preparation method thereof | 郝建强 | 2019-08-23 | — | — | CN | claimed |