⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8360326 | 0.86 | — | — | |
| SCHEMBL7720269 | 0.84 | MEN1 (0.32) | — | |
| SCHEMBL4156874 | 0.83 | TSHR (0.50) | — | |
| SCHEMBL13994308 | 0.83 | TSHR (0.50) | — | |
| SCHEMBL18699081 | 0.83 | TSHR (0.50) | — | |
| SCHEMBL8425269 | 0.83 | TSHR (0.50) | — | |
| SCHEMBL30863662 | 0.83 | TSHR (0.50) | — | |
| SCHEMBL7675793 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL28871126 | 0.80 | TSHR (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL28372827 | 0.80 | TSHR (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4652399-A | Novel polyacrylic esters bearing pendant macrocyclic ethers and electrically conducting compositions comprised thereof | ARMSTRONG WORLD INDUSTRIES, INC. (US) | 1987-03-24 | — | — | US | disclosed |
| US-4650846-A | METAL ION COMPLEXING | ARMSTRONG WORLD INDUSTRIES, INC. (US) | 1987-03-17 | — | — | US | disclosed |
| US-4607110-A | Novel polyacrylic esters bearing pendant macrocyclic ethers and electrically conducting compositions comprised thereof | ARMSTRONG WORLD INDUSTRIES, INC. (US) | 1986-08-19 | — | — | US | disclosed |