⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1412044 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL28412591 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL8942220 | 0.93 | — | — | |
| Bromide SCHEMBL11751081 | 0.93 | — | — | |
| Water SCHEMBL5156556 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL3496168 | 0.93 | — | — | |
| SCHEMBL27409539 | 0.93 | — | — | |
| Trimethylammonium SCHEMBL27711366 | 0.84 | — | — | |
| SCHEMBL18766380 | 0.82 | — | — | |
| SCHEMBL1412045 | 0.80 | — | — |
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-104130189-B | Application of pyrazoline derivatives as metal pickling corrosion inhibitor | 四川理工学院 | 2017-01-18 | — | — | CN | disclosed |