⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28839675 | 0.98 | — | — | |
| SCHEMBL28840035 | 0.92 | — | — | |
| SCHEMBL28839742 | 0.87 | — | — | |
| SCHEMBL28839691 | 0.85 | — | — | |
| SCHEMBL28839689 | 0.78 | — | — | |
| SCHEMBL28840039 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL28839648 | 0.76 | — | — | |
| SCHEMBL28839662 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL9295163 | 0.75 | — | — | |
| SCHEMBL28840286 | 0.74 | — | — |
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-107892729-B | Copolymer of triisopropylsilyl (meth) acrylate and (meth) acrylic acid derivative and process for producing the same | 信越化学工业株式会社 | 2022-09-06 | — | — | CN | disclosed |