⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8501063 | 1.00 | — | — | |
| SCHEMBL16397524 | 0.77 | — | — | |
| SCHEMBL379728 | 0.77 | — | — | |
| SCHEMBL30477820 | 0.77 | — | — | |
| SCHEMBL1133522 | 0.77 | — | — | |
| SCHEMBL22664951 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL22306228 | 0.72 | KMT2A (0.47) | — | |
| SCHEMBL477127 | 0.71 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL16974188 | 0.71 | ALDH1A1 (0.53) | — | |
| SCHEMBL18298629 | 0.71 | ALK (0.53) | — |
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-5856314-A | Thio-substituted, Nitrogen-containing, heterocyclic phosphonate compounds, pharmaceutical compositions, and methods of treating abnormal calcium and phosphate metabolism | THE PROCTER & GAMBLE COMPANY (US) | 1999-01-05 | — | — | US | disclosed |