⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14686085 | 0.92 | TSHR (0.63) | — | |
| SCHEMBL4372957 | 0.92 | TSHR (0.63) | — | |
| SCHEMBL5973362 | 0.92 | TSHR (0.63) | — | |
| SCHEMBL4867078 | 0.82 | — | — | |
| Glutarate SCHEMBL5712395 | 0.82 | SLC22A6 (0.79) | — | |
| Glutarate SCHEMBL28291706 | 0.82 | SLC22A6 (0.79) | — | |
| Glutarate SCHEMBL27556904 | 0.78 | SLC22A6 (0.85) | — | |
| Glutarate SCHEMBL7414 | 0.78 | — | — | |
| Glutarate SCHEMBL6701735 | 0.78 | — | — | |
| Glutarate SCHEMBL27601182 | 0.78 | SLC22A6 (1.00) | — |
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 |