⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL504327 | 0.97 | — | — | |
| SCHEMBL10181317 | 0.94 | — | — | |
| Alcohol SCHEMBL9753728 | 0.92 | ALDH1A1 (0.55) | — | |
| SCHEMBL28335668 | 0.90 | ALDH1A1 (0.52) | — | |
| SCHEMBL1491588 | 0.81 | — | — | |
| SCHEMBL28074330 | 0.80 | DGKA (0.59) | — | |
| SCHEMBL329134 | 0.79 | — | — | |
| SCHEMBL337863 | 0.78 | TSHR (0.44) | — | |
| SCHEMBL329071 | 0.77 | DGKA (0.61) | — | |
| SCHEMBL8645409 | 0.77 | DGKA (0.61) | — |
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-109666792-A | A kind of method of rare-earth extractant and rare-earth separating yttrium | 厦门熙途科技有限公司 | 2019-04-23 | — | — | CN | disclosed |