⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10486707 | 0.92 | GGPS1 (0.38) | — | |
| SCHEMBL10486717 | 0.90 | GGPS1 (0.41) | — | |
| SCHEMBL10486708 | 0.90 | GGPS1 (0.41) | — | |
| SCHEMBL17677263 | 0.90 | GGPS1 (0.41) | — | |
| SCHEMBL10486718 | 0.90 | GGPS1 (0.41) | — | |
| SCHEMBL1253189 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL5932869 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL1253188 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL13699318 | 0.72 | — | — | |
| SCHEMBL21755874 | 0.72 | — | — |
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-105765672-A | Improved method for producing magnetic monodisperse polymer particles | 豪夫迈·罗氏有限公司 | 2016-07-13 | — | — | CN | claimed |