⚠ 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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL9691956 | 1.00 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL9692719 | 0.80 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL9692723 | 0.80 | — | — | |
| SCHEMBL2874639 | 0.78 | — | — | |
| SCHEMBL2874637 | 0.78 | — | — | |
| SCHEMBL2879785 | 0.78 | — | — | |
| SCHEMBL2879787 | 0.78 | — | — | |
| SCHEMBL617958 | 0.76 | — | — | |
| SCHEMBL9692322 | 0.73 | PTGS2 (0.33) | — | |
| SCHEMBL176053 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0153692-B1 | METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1992-07-29 | — | — | EP | disclosed |
| EP-0153692-A2 | Method for isomerization a glycidate derivative | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1985-09-04 | — | — | EP | disclosed |