⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19732814 | 0.83 | — | — | |
| SCHEMBL29013701 | 0.82 | KEAP1 (0.31) | — | |
| SCHEMBL29085505 | 0.73 | — | — | |
| SCHEMBL28195662 | 0.72 | — | — | |
| SCHEMBL331439 | 0.72 | APLNR (0.32) | — | |
| SCHEMBL330874 | 0.72 | TRPA1 (0.31) | — | |
| SCHEMBL1145854 | 0.69 | — | — | |
| SCHEMBL3636694 | 0.65 | NOS2 (0.35) | — | |
| SCHEMBL2138180 | 0.64 | — | — | |
| SCHEMBL728127 | 0.64 | — | — |
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-112533963-B | (meth) acrylate, monomer composition for dental material, molded article, composition for dental material, and method for producing (meth) acrylate | 三井化学株式会社 | 2023-07-25 | — | — | CN | disclosed |