⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11050339 | 0.86 | — | — | |
| SCHEMBL14776852 | 0.77 | — | — | |
| SCHEMBL11050843 | 0.71 | CTSA (0.39) | — | |
| SCHEMBL2331836 | 0.69 | KDM4E (0.50) | — | |
| SCHEMBL20298950 | 0.69 | — | — | |
| SCHEMBL31367023 | 0.69 | KDM4E (0.43) | — | |
| SCHEMBL31393230 | 0.66 | PPARD (0.34) | — | |
| SCHEMBL14790684 | 0.66 | — | — | |
| SCHEMBL10561425 | 0.64 | — | — | |
| SCHEMBL14790682 | 0.64 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| US-4478763-A | TREATMENT OF DIPHOSPHONATE ESTERS WITH POTASSIUM TERT-BUTOXIDE AND PERCHLORYL FLUORIDE | UNIV. OF SOUTHERN CALIFORNIA (US) | 1984-10-23 | — | — | US | disclosed |