⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11046015 | 0.73 | — | — | |
| Phosphoric Acid SCHEMBL2092954 | 0.68 | CA2 (0.50) | — | |
| Phosphoric Acid SCHEMBL107716 | 0.68 | — | — | |
| Phosphoric Acid SCHEMBL2815522 | 0.68 | CA2 (0.50) | — | |
| Phosphoric Acid SCHEMBL15312963 | 0.68 | CA2 (0.50) | — | |
| SCHEMBL877113 | 0.67 | — | — | |
| Imidodiphosphate SCHEMBL125276 | 0.67 | — | — | |
| SCHEMBL21218808 | 0.67 | CA2 (0.39) | — | |
| Phosphoric Acid SCHEMBL1433313 | 0.64 | CA2 (0.46) | — | |
| Phosphoric Acid SCHEMBL20492979 | 0.64 | — | — |
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-106883911-A | A kind of high temperature oxidation resisting methyl alcohol machine oil and preparation method thereof | 浙江吉利控股集团有限公司 | 2017-06-23 | — | — | CN | disclosed |