⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL542356 | 0.83 | CYP1A2 (0.30) | — | |
| SCHEMBL10753923 | 0.81 | — | — | |
| SCHEMBL9509658 | 0.79 | — | — | |
| SCHEMBL5594839 | 0.78 | — | — | |
| SCHEMBL1138479 | 0.75 | SERPINE1 (0.38) | — | |
| SCHEMBL374062 | 0.75 | — | — | |
| SCHEMBL126557 | 0.75 | SERPINE1 (0.38) | — | |
| SCHEMBL26834 | 0.75 | SERPINE1 (0.38) | — | |
| SCHEMBL9510766 | 0.75 | — | — | |
| SCHEMBL1062003 | 0.74 | — | — |
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-0300462-B1 | HETEROCYCLIC PEROXYCARBOXYLIC ACIDS | AUSIMONT S.p.A. (IT) | 1993-09-29 | — | — | EP | claimed |