⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8855876 | 0.86 | LMNA (0.32) | — | |
| SCHEMBL31471592 | 0.84 | — | — | |
| SCHEMBL2994187 | 0.83 | KDM4E (0.33) | — | |
| Bromide SCHEMBL27836142 | 0.82 | — | — | |
| SCHEMBL27889971 | 0.81 | PTGS1 (0.37) | — | |
| Bromide SCHEMBL27743415 | 0.80 | PTGS1 (0.36) | — | |
| SCHEMBL27920548 | 0.79 | SMN1; SMN2 (0.34) | — | |
| Iodide SCHEMBL28054984 | 0.78 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL2990870 | 0.76 | — | — | |
| SCHEMBL27854241 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | claimed |
| US-5614510-A | AMMONIUM SALTS | PERSTORP AB (SE) | 1997-03-25 | — | — | US | disclosed |