⚠ 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 | |
|---|---|---|---|---|
| Ethyne SCHEMBL29151768 | 0.60 | — | — | |
| SCHEMBL2952617 | 0.59 | — | — | |
| SCHEMBL9492610 | 0.59 | — | — | |
| SCHEMBL25404221 | 0.58 | — | — | |
| SCHEMBL19133 | 0.58 | — | — | |
| SCHEMBL4848882 | 0.56 | — | — | |
| SCHEMBL11302063 | 0.56 | — | — | |
| SCHEMBL169027 | 0.56 | — | — | |
| SCHEMBL3818637 | 0.54 | — | — | |
| SCHEMBL1418382 | 0.54 | — | — |
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-104548902-B | Acetylene gas purifier and technique thereof | 杭州中昊科技有限公司 | 2016-08-24 | — | — | CN | disclosed |