⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12690555 | 0.68 | HTR1D (0.35) | — | |
| SCHEMBL17128963 | 0.67 | DOHH (0.50) | — | |
| SCHEMBL9813218 | 0.67 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL1338455 | 0.58 | HRH3 (0.35) | — | |
| SCHEMBL12535835 | 0.56 | — | — | |
| SCHEMBL1646200 | 0.53 | LOXL2 (0.60) | — | |
| SCHEMBL21409642 | 0.53 | — | — | |
| SCHEMBL328579 | 0.53 | — | — | |
| SCHEMBL2702074 | 0.53 | TRPA1 (0.50) | — | |
| SCHEMBL55322 | 0.51 | — | — |
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-109755647-A | A kind of magnesium battery electrolyte | 麻城市天力科技有限公司 | 2019-05-14 | — | — | CN | disclosed |