⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29693701 | 0.86 | — | — | |
| SCHEMBL29531423 | 0.86 | ITPR3 (0.37) | — | |
| SCHEMBL29638849 | 0.82 | — | — | |
| SCHEMBL30904715 | 0.81 | ITPR3 (0.31) | — | |
| SCHEMBL29380857 | 0.75 | — | — | |
| SCHEMBL29438035 | 0.73 | SRC (0.40) | — | |
| SCHEMBL30434679 | 0.71 | — | — | |
| SCHEMBL28795124 | 0.71 | — | — | |
| SCHEMBL31514503 | 0.70 | — | — | |
| SCHEMBL29889070 | 0.69 | — | — |
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-118530277-A | Cationic photopolymerization type phosphate alicyclic epoxy monomer and preparation method and application thereof | 北京化工大学 | 2024-08-23 | — | — | CN | disclosed |
| CN-117024658-A | Phospholipid terminal functionalized rare earth isoprene rubber and preparation method and application thereof | 海南天然橡胶产业集团股份有限公司 | 2023-11-10 | — | — | CN | disclosed |