⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2266306 | 0.92 | — | — | |
| SCHEMBL2271404 | 0.87 | — | — | |
| SCHEMBL2269170 | 0.85 | — | — | |
| SCHEMBL2270615 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL888418 | 0.78 | TP53 (0.31) | — | |
| SCHEMBL5403964 | 0.78 | TP53 (0.31) | — | |
| SCHEMBL2271303 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL28646024 | 0.76 | — | — | |
| SCHEMBL2269861 | 0.71 | — | — | |
| SCHEMBL2273160 | 0.69 | TSHR (0.35) | — |
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-107158966-B | Cellulose acetate based ultrafiltration membrane for separating anionic dye and heavy metal and preparation method thereof | 北京理工大学 | 2020-07-31 | — | — | CN | disclosed |