⚠ 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 SCHEMBL28170477 | 0.80 | ALDH1A1 (0.54) | — | |
| Methoxymethane SCHEMBL28284866 | 0.79 | — | — | |
| Alcohol SCHEMBL28291903 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL29127338 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL8650747 | 0.74 | — | — | |
| SCHEMBL11480259 | 0.74 | — | — | |
| SCHEMBL21373228 | 0.74 | — | — | |
| SCHEMBL198 | 0.74 | — | — | |
| SCHEMBL288066 | 0.74 | — | — | |
| 2-Methoxyethanol SCHEMBL27953102 | 0.73 | F2 (0.32) | — |
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-107254054-B | Preparation method and application of solvent type hydrophobic and oleophobic nano hybrid fluorosilicone resin | 陕西科技大学 | 2020-10-13 | — | — | CN | disclosed |