⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11852458 | 0.80 | — | — | |
| SCHEMBL18167350 | 0.80 | — | — | |
| Ethylmalonate SCHEMBL10702049 | 0.79 | FFAR3 (0.47) | — | |
| SCHEMBL11852443 | 0.79 | — | — | |
| SCHEMBL4931056 | 0.79 | — | — | |
| Ethylmalonate SCHEMBL107241 | 0.78 | — | — | |
| SCHEMBL157028 | 0.77 | — | — | |
| SCHEMBL3746470 | 0.76 | — | — | |
| SCHEMBL11203295 | 0.76 | CHRM1 (0.35) | — | |
| SCHEMBL4457499 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998019672-A9 | NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES | — | 1998-09-11 | — | — | WO | disclosed |