⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1070304 | 0.74 | — | — | |
| SCHEMBL31285568 | 0.73 | CYP19A1 (0.34) | — | |
| SCHEMBL28697066 | 0.69 | — | — | |
| SCHEMBL15338506 | 0.59 | — | — | |
| SCHEMBL10573078 | 0.59 | — | — | |
| SCHEMBL13407 | 0.57 | — | — | |
| SCHEMBL1500325 | 0.52 | GAA (0.30) | — | |
| SCHEMBL33554 | 0.45 | — | — | |
| SCHEMBL722089 | 0.45 | — | — | |
| Water SCHEMBL9798116 | 0.43 | MAPT (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2026098118-A1 | HALOGENATED PYRAZINE-PHENANTHROLINE SMALL MOLECULE NOVEL ORGANIC CORROSION INHIBITOR AND PREPARATION METHOD THEREFOR | 洛阳船舶材料研究所（中国船舶集团有限公司第七二五 研究所） | 2026-05-15 | — | — | WO | disclosed |
| CN-112342380-B | Application method of hydrophobic extractant in cloud point extraction system | 北京大学 | 2021-11-19 | — | — | CN | disclosed |
| CN-112342380-A | Application method of hydrophobic extractant in cloud point extraction system | 北京大学 | 2021-02-09 | — | — | CN | disclosed |