⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL16792318 | 0.82 | — | — | |
| Methylamine SCHEMBL21437119 | 0.77 | — | — | |
| SCHEMBL21693618 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL21219139 | 0.71 | — | — | |
| Methyl Alcohol SCHEMBL21219138 | 0.71 | — | — | |
| SCHEMBL22719 | 0.71 | — | — | |
| SCHEMBL11459 | 0.71 | — | — | |
| SCHEMBL8824994 | 0.71 | — | — | |
| SCHEMBL128828 | 0.71 | — | — | |
| SCHEMBL7556186 | 0.70 | — | — |
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-109824626-A | The method for being used to prepare 17 carbon -8- alkene of 17- oxabicyclo [14.1.0] | 西姆莱斯股份公司 | 2019-05-31 | — | — | CN | disclosed |