⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9492279 | 0.93 | — | — | |
| SCHEMBL29378248 | 0.93 | — | — | |
| SCHEMBL9493987 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL11203336 | 0.92 | — | — | |
| Monoethanolamine SCHEMBL11209929 | 0.91 | — | — | |
| SCHEMBL9492917 | 0.84 | NPC1 (0.30) | — | |
| SCHEMBL10890207 | 0.83 | — | — | |
| SCHEMBL9494823 | 0.82 | — | — | |
| Potassium Ion SCHEMBL11202087 | 0.82 | — | — | |
| SCHEMBL29375604 | 0.82 | — | — |
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-0085275-A1 | Substituted thiazolidinylic esters of mineral acids | CIBA-GEIGY AG (CH) | 1983-08-10 | — | — | EP | disclosed |