⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL344851 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL28986810 | 0.81 | — | — | |
| Norflurane SCHEMBL28902607 | 0.77 | — | — | |
| Methoxymethane SCHEMBL10435328 | 0.71 | — | — | |
| SCHEMBL29092640 | 0.71 | MEN1 (0.43) | — | |
| SCHEMBL16097544 | 0.69 | — | — | |
| Isopropyl Alcohol SCHEMBL7432430 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL10081632 | 0.69 | — | — | |
| SCHEMBL201981 | 0.68 | — | — | |
| Methoxymethane SCHEMBL22027751 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117730071-A | Synthesis of haloalkoxyethane | 联邦科学和工业研究组织 | 2024-03-19 | — | — | CN | disclosed |
| CN-117715883-A | Purification method | 联邦科学和工业研究组织 | 2024-03-15 | — | — | CN | disclosed |