⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5354 | 0.96 | — | — | |
| Bromide SCHEMBL28830309 | 0.92 | — | — | |
| SCHEMBL11695182 | 0.92 | — | — | |
| Iodide SCHEMBL27949577 | 0.92 | — | — | |
| SCHEMBL7586263 | 0.92 | — | — | |
| Fluoride SCHEMBL11339901 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL27535630 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL2671055 | 0.92 | — | — | |
| SCHEMBL7608901 | 0.92 | — | — | |
| SCHEMBL27625113 | 0.92 | — | — |
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-103695079-B | Based on the lubricating oil additive of methanol gasoline | SHANXI HUADUN INDUSTRY CO., LTD. (CN) | 2015-08-12 | — | — | CN | disclosed |