⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3778747 | 0.87 | — | — | |
| SCHEMBL2196010 | 0.87 | — | — | |
| SCHEMBL29145060 | 0.87 | — | — | |
| SCHEMBL28217490 | 0.87 | — | — | |
| SCHEMBL32680998 | 0.87 | — | — | |
| SCHEMBL28059616 | 0.82 | — | — | |
| SCHEMBL3765448 | 0.75 | — | — | |
| SCHEMBL30542581 | 0.75 | — | — | |
| Water SCHEMBL19712870 | 0.75 | — | — | |
| SCHEMBL28993812 | 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-110038647-A | A kind of method of electrolysed saline solution highly efficient regeneration resin | 南京大学 | 2019-07-23 | — | — | CN | claimed |
| CN-110038647-A | A kind of method of electrolysed saline solution highly efficient regeneration resin | 南京大学 | 2019-07-23 | — | — | CN | disclosed |