⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9177952 | 0.79 | — | — | |
| SCHEMBL9191883 | 0.79 | — | — | |
| SCHEMBL9176487 | 0.79 | — | — | |
| SCHEMBL9682908 | 0.79 | — | — | |
| SCHEMBL8624812 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL8625995 | 0.73 | — | — | |
| SCHEMBL8625178 | 0.73 | — | — | |
| SCHEMBL8629695 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL775695 | 0.71 | — | — | |
| SCHEMBL5667348 | 0.69 | LMNA (0.33) | — |
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-0453406-A1 | 5,5-Bis(perfluoroalkylheteromethyl)-2-hydroxy-2-oxo-1,3,2-dioxaphosphorinanes, derived acyclic phosphorus acids and salts or esters thereof | CIBA-GEIGY AG (CH) | 1991-10-23 | — | — | EP | disclosed |