⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2100268 | 0.80 | — | — | |
| SCHEMBL11032462 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL2100271 | 0.80 | — | — | |
| SCHEMBL11048888 | 0.78 | — | — | |
| SCHEMBL21296283 | 0.78 | — | — | |
| SCHEMBL4529908 | 0.78 | GRIK1 (0.31) | — | |
| SCHEMBL2214381 | 0.76 | — | — | |
| SCHEMBL19639425 | 0.75 | GLO1 (0.47) | — | |
| SCHEMBL2045712 | 0.73 | — | — | |
| SCHEMBL3291187 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106905152-B | Acrylate monomer containing 2-carbonyl bromide and alkynyl, polymer thereof, synthetic method and application | 中国科学院上海有机化学研究所 | 2020-10-30 | — | — | CN | claimed |
| CN-106905152-B | Acrylate monomer containing 2-carbonyl bromide and alkynyl, polymer thereof, synthetic method and application | 中国科学院上海有机化学研究所 | 2020-10-30 | — | — | CN | disclosed |