⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21598839 | 0.84 | CHRM2 (0.33) | — | |
| SCHEMBL28580310 | 0.82 | ATM (0.39) | — | |
| Hydrochloric Acid SCHEMBL27785352 | 0.82 | CHRM2 (0.32) | — | |
| SCHEMBL20240634 | 0.82 | ATM (0.39) | — | |
| SCHEMBL30843778 | 0.82 | ATM (0.39) | — | |
| SCHEMBL27962526 | 0.79 | — | — | |
| SCHEMBL9512955 | 0.79 | — | — | |
| SCHEMBL27801658 | 0.75 | L3MBTL1 (0.35) | — | |
| SCHEMBL9509659 | 0.73 | — | — | |
| SCHEMBL13195790 | 0.72 | CYP19A1 (0.46) | — |
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 |