⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6033149 | 0.96 | — | — | |
| SCHEMBL27777252 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL28147196 | 0.93 | — | — | |
| SCHEMBL28225159 | 0.93 | — | — | |
| Water SCHEMBL2877012 | 0.93 | — | — | |
| SCHEMBL7762365 | 0.74 | — | — | |
| SCHEMBL28004615 | 0.71 | — | — | |
| SCHEMBL11127619 | 0.69 | ACHE (0.36) | — | |
| Bicarbonate SCHEMBL15412927 | 0.69 | — | — | |
| SCHEMBL9227806 | 0.69 | — | — |
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-110407716-B | Method for inhibiting nitroalkane in oximation process | 山东省化工研究院 | 2022-04-29 | — | — | CN | disclosed |
| CN-110407716-A | A kind of method that oximate process inhibits nitroparaffins | CHEMICAL TECH ACADEMY OF SHANDONG PROVINCE | 2019-11-05 | — | — | CN | disclosed |