⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1164790 | 0.96 | — | — | |
| SCHEMBL11159108 | 0.93 | — | — | |
| SCHEMBL6292456 | 0.93 | — | — | |
| Dioxane SCHEMBL10831646 | 0.80 | TTR (0.32) | — | |
| SCHEMBL2175383 | 0.74 | — | — | |
| SCHEMBL550143 | 0.74 | — | — | |
| Trolamine SCHEMBL16085955 | 0.74 | MAPT (0.31) | — | |
| Tromethamine SCHEMBL10823977 | 0.74 | MEN1 (0.46) | — | |
| Trolamine SCHEMBL11405248 | 0.74 | MAPT (0.31) | — | |
| SCHEMBL16237764 | 0.74 | TDP1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0079392-B1 | COMPOSITE OXYALKOXIDES AND DERIVATIVES THEREOF | NIPPON SODA CO., LTD. (JP) | 1987-08-26 | — | — | EP | disclosed |