⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9691657 | 0.84 | LSS (0.33) | — | |
| SCHEMBL999684 | 0.82 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL10889679 | 0.70 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL31258263 | 0.65 | GPR3 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL15821415 | 0.65 | GPR3 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5274319 | 0.65 | GPR3 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3475928 | 0.65 | GPR3 (0.35) | — | |
| SCHEMBL18872204 | 0.60 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL9690187 | 0.59 | GPR3 (0.32) | — | |
| SCHEMBL9645938 | 0.59 | — | — |
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 |