⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL197643 | 0.96 | — | — | |
| SCHEMBL2511823 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL27498539 | 0.93 | — | — | |
| Sulfuric Acid SCHEMBL5933421 | 0.87 | CA5A (0.38) | — | |
| SCHEMBL30009722 | 0.78 | TP53 (0.31) | — | |
| SCHEMBL3215329 | 0.74 | USP2 (0.44) | — | |
| SCHEMBL778652 | 0.74 | USP2 (0.44) | — | |
| Acrylic Acid SCHEMBL28126587 | 0.74 | LMNA (0.46) | — | |
| SCHEMBL415726 | 0.73 | — | — | |
| Potassium SCHEMBL30560880 | 0.71 | — | — |
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 |