⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5324769 | 0.89 | — | — | |
| SCHEMBL27967598 | 0.89 | — | — | |
| SCHEMBL9341708 | 0.89 | — | — | |
| SCHEMBL27724519 | 0.89 | — | — | |
| Water SCHEMBL28318044 | 0.80 | — | — | |
| Water SCHEMBL27894159 | 0.80 | — | — | |
| SCHEMBL2718 | 0.78 | — | — | |
| SCHEMBL6191 | 0.78 | — | — | |
| SCHEMBL8012781 | 0.78 | — | — | |
| SCHEMBL27498205 | 0.78 | — | — |
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-106587677-A | Magnesium-calcium material and preparation method thereof | 中国科学院过程工程研究所 | 2017-04-26 | — | — | CN | disclosed |