⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL23510781 | 0.93 | — | — | |
| Water SCHEMBL27769132 | 0.93 | — | — | |
| SCHEMBL28225426 | 0.91 | — | — | |
| SCHEMBL917067 | 0.91 | — | — | |
| SCHEMBL27536687 | 0.83 | — | — | |
| SCHEMBL27718386 | 0.83 | — | — | |
| SCHEMBL28762808 | 0.83 | — | — | |
| Water SCHEMBL9446657 | 0.83 | — | — | |
| SCHEMBL28821797 | 0.83 | — | — | |
| SCHEMBL27820129 | 0.83 | — | — |
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-103961358-B | Protopanoxadiol derivative, the application in pharmacy of Protopanaxatriol's derivant | 上海中药创新研究中心 | 2016-07-06 | — | — | CN | disclosed |