⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL637645 | 0.97 | — | — | |
| SCHEMBL28112459 | 0.94 | — | — | |
| SCHEMBL11128512 | 0.77 | TDP1 (0.37) | — | |
| SCHEMBL1709336 | 0.77 | — | — | |
| SCHEMBL1709289 | 0.77 | — | — | |
| SCHEMBL268198 | 0.77 | — | — | |
| SCHEMBL7030509 | 0.77 | — | — | |
| SCHEMBL128903 | 0.72 | — | — | |
| SCHEMBL268557 | 0.72 | — | — | |
| SCHEMBL12499796 | 0.72 | — | — |
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-109734593-A | A kind of preparation method of 3- propoxyl group propyl propionate | 韶关市合众化工有限公司 | 2019-05-10 | — | — | CN | claimed |