⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11232620 | 0.78 | — | — | |
| SCHEMBL5347206 | 0.72 | — | — | |
| SCHEMBL22319199 | 0.67 | — | — | |
| SCHEMBL29030567 | 0.63 | TSHR (0.39) | — | |
| SCHEMBL15575945 | 0.63 | — | — | |
| SCHEMBL2811099 | 0.62 | — | — | |
| SCHEMBL294964 | 0.60 | — | — | |
| Water SCHEMBL11085514 | 0.60 | — | — | |
| SCHEMBL13940791 | 0.60 | — | — | |
| Fluoride SCHEMBL27823400 | 0.60 | — | — |
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-102220060-B | Elastomer gel water-in-water colorful system paint | JI QINGXU | 2015-06-24 | — | — | CN | disclosed |