⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3747066 | 0.77 | — | — | |
| SCHEMBL10076291 | 0.77 | — | — | |
| SCHEMBL4383876 | 0.77 | — | — | |
| SCHEMBL106122 | 0.77 | — | — | |
| SCHEMBL2985874 | 0.77 | — | — | |
| SCHEMBL4528553 | 0.74 | GRIK1 (0.33) | — | |
| SCHEMBL28518627 | 0.74 | — | — | |
| SCHEMBL11137576 | 0.73 | — | — | |
| SCHEMBL6603736 | 0.73 | — | — | |
| SCHEMBL1139057 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105541551-B | New method, process and device for reactive distillation separation and refining of ethylene glycol and 1, 2-butanediol | 天津大学 | 2020-11-17 | — | — | CN | disclosed |
| CN-105622338-B | Method, process and device for separating ethylene glycol and 1, 2-butanediol | 天津大学 | 2020-11-17 | — | — | CN | disclosed |
| CN-105622338-A | Method, process and apparatus for separation of ethylene glycol and 1,2-butanediol | UNIV TIANJIN | 2016-06-01 | — | — | CN | disclosed |