⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10402631 | 0.77 | — | — | |
| SCHEMBL8808741 | 0.75 | — | — | |
| SCHEMBL10543654 | 0.73 | — | — | |
| SCHEMBL11163217 | 0.71 | — | — | |
| SCHEMBL11497665 | 0.62 | POLB (0.35) | — | |
| SCHEMBL11452540 | 0.62 | POLB (0.35) | — | |
| SCHEMBL7032979 | 0.62 | POLB (0.35) | — | |
| SCHEMBL11497664 | 0.62 | POLB (0.35) | — | |
| Acetic Acid SCHEMBL17093926 | 0.61 | GLA (0.31) | — | |
| SCHEMBL10949078 | 0.61 | — | — |
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-0061763-A1 | 4-Substituted mercapto-2-oxo-1-azetidinesulfonic acid salts and process for their preparation | E.R. SQUIBB & SONS, INC. (US) | 1982-10-06 | — | — | EP | disclosed |