⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16571065 | 1.00 | — | — | |
| SCHEMBL27684796 | 0.85 | — | — | |
| SCHEMBL1681573 | 0.84 | KCNN4 (0.31) | — | |
| SCHEMBL16571376 | 0.80 | MEN1 (0.32) | — | |
| SCHEMBL1681926 | 0.80 | NPC1 (0.34) | — | |
| SCHEMBL1682024 | 0.80 | HSD11B1 (0.38) | — | |
| SCHEMBL2920041 | 0.79 | DHODH (0.33) | — | |
| SCHEMBL1682038 | 0.78 | — | — | |
| SCHEMBL3036069 | 0.78 | — | — | |
| SCHEMBL1681936 | 0.78 | AR (0.32) | — |
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-114026060-A | Acrylate derivative, use thereof, and intermediate for production thereof | 住友化学株式会社 | 2022-02-08 | — | — | CN | disclosed |