⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL29183514 | 1.00 | GABRP (0.34) | — | |
| Acetic Acid SCHEMBL427804 | 0.93 | — | — | |
| Acetic Acid SCHEMBL28384471 | 0.93 | GABRP (0.38) | — | |
| Acetic Acid SCHEMBL27684923 | 0.89 | CA1 (0.39) | — | |
| Acetic Acid SCHEMBL28633820 | 0.89 | CA1 (0.39) | — | |
| Ethaneperoxoic Acid SCHEMBL31288599 | 0.89 | GABRP (0.31) | — | |
| Acetic Acid SCHEMBL28043407 | 0.89 | CA1 (0.39) | — | |
| Bicarbonate SCHEMBL9233256 | 0.87 | — | — | |
| Bicarbonate SCHEMBL7652336 | 0.87 | GABRA1 (0.40) | — | |
| Oxalic Acid SCHEMBL29929356 | 0.85 | GABRP (0.39) | — |
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-108383408-B | Calcium type zeolite-based imidazoline corrosion inhibitor and preparation method and application thereof | 华南理工大学 | 2020-09-22 | — | — | CN | claimed |
| CN-108383408-B | Calcium type zeolite-based imidazoline corrosion inhibitor and preparation method and application thereof | 华南理工大学 | 2020-09-22 | — | — | CN | disclosed |