⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13016226 | 0.83 | — | — | |
| SCHEMBL13016297 | 0.83 | — | — | |
| SCHEMBL18338888 | 0.82 | — | — | |
| SCHEMBL13016298 | 0.80 | — | — | |
| SCHEMBL13016050 | 0.79 | — | — | |
| SCHEMBL28017556 | 0.79 | GLS (0.31) | — | |
| SCHEMBL11246635 | 0.77 | FFAR3 (0.31) | — | |
| SCHEMBL6631845 | 0.77 | FFAR3 (0.31) | — | |
| SCHEMBL11248378 | 0.77 | FFAR3 (0.31) | — | |
| SCHEMBL13016052 | 0.77 | — | — |
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-112457191-A | (meth) acrylic acid ester compound | 上海墨之炫科技有限公司 | 2021-03-09 | — | — | CN | disclosed |