⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL302042 | 0.94 | — | — | |
| Methane SCHEMBL11143709 | 0.92 | — | — | |
| Propane SCHEMBL28417637 | 0.86 | — | — | |
| Carbon Monoxide SCHEMBL3816363 | 0.86 | — | — | |
| Sulfuric Acid SCHEMBL7678413 | 0.85 | — | — | |
| Carbon Monoxide SCHEMBL7632654 | 0.84 | — | — | |
| SCHEMBL15312795 | 0.84 | — | — | |
| SCHEMBL3007793 | 0.82 | — | — | |
| SCHEMBL11143706 | 0.77 | — | — | |
| N-Methylpiperidine SCHEMBL27423107 | 0.75 | — | — |
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-112831357-B | High-environmental-protection fuel oil capable of replacing gasoline and preparation method thereof | 河南精良新能源科技有限公司 | 2022-07-05 | — | — | CN | disclosed |
| CN-112831357-A | High-environmental-protection fuel oil capable of replacing gasoline and preparation method thereof | 河南精良新能源科技有限公司 | 2021-05-25 | — | — | CN | disclosed |