⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL28997913 | 0.93 | — | — | |
| SCHEMBL129754 | 0.93 | — | — | |
| SCHEMBL28353769 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL30306285 | 0.89 | — | — | |
| SCHEMBL28551563 | 0.89 | — | — | |
| SCHEMBL8166229 | 0.71 | — | — | |
| SCHEMBL129755 | 0.71 | — | — | |
| SCHEMBL11882644 | 0.68 | — | — | |
| Bicarbonate SCHEMBL19665813 | 0.66 | CA1 (0.62) | — | |
| Bicarbonate SCHEMBL10610952 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0494209-A4 | CYCLIC PEROXYACETAL LACTONE, LACTOL AND ETHER COMPOUNDS | — | 1993-03-10 | — | — | EP | disclosed |
| EP-0494209-A1 | CYCLIC PEROXYACETAL LACTONE, LACTOL AND ETHER COMPOUNDS | Aventis Pharma S.A. (FR) | 1992-07-15 | — | — | EP | disclosed |
| WO-1991004970-A1 | CYCLIC PEROXYACETAL LACTONE, LACTOL AND ETHER COMPOUNDS | RHONE-POULENC RORER S.A. (FR) | 1991-04-18 | — | — | WO | disclosed |