⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12808916 | 1.00 | — | — | |
| SCHEMBL18328334 | 0.78 | — | — | |
| SCHEMBL17538644 | 0.69 | — | — | |
| SCHEMBL11627562 | 0.69 | — | — | |
| SCHEMBL7871008 | 0.69 | — | — | |
| SCHEMBL6417555 | 0.69 | — | — | |
| SCHEMBL709727 | 0.69 | — | — | |
| SCHEMBL4959860 | 0.67 | — | — | |
| SCHEMBL6740723 | 0.67 | — | — | |
| SCHEMBL11427077 | 0.67 | — | — |
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-117924585-A | Acrylate rubber with long-chain branched chain, composition containing rubber and preparation method of composition | 广州熵能创新材料股份有限公司 | 2024-04-26 | — | — | CN | disclosed |
| US-20120065366-A1 | CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME | THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) | 2012-03-15 | — | — | US | disclosed |