⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL537944 | 0.84 | — | — | |
| Ether SCHEMBL1193753 | 0.81 | — | — | |
| Propylamine SCHEMBL28210878 | 0.71 | — | — | |
| Ether SCHEMBL1092093 | 0.70 | — | — | |
| SCHEMBL29083306 | 0.69 | — | — | |
| Propylamine SCHEMBL1330797 | 0.69 | — | — | |
| Propylamine SCHEMBL448871 | 0.69 | — | — | |
| Propylamine SCHEMBL9181 | 0.69 | — | — | |
| Propylamine SCHEMBL28117685 | 0.67 | — | — | |
| Ether SCHEMBL28041817 | 0.67 | — | — |
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-110302946-A | A kind of semitrailer car body coating technique | 河北鹏达专用汽车有限公司 | 2019-10-08 | — | — | CN | disclosed |