⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21510096 | 0.93 | CYP2D6 (0.33) | — | |
| SCHEMBL5682654 | 0.89 | — | — | |
| SCHEMBL21078166 | 0.88 | GAA (0.30) | — | |
| Water SCHEMBL994672 | 0.87 | — | — | |
| SCHEMBL8206157 | 0.86 | — | — | |
| SCHEMBL12059274 | 0.84 | CYP2D6 (0.34) | — | |
| SCHEMBL14755775 | 0.84 | — | — | |
| SCHEMBL18431969 | 0.83 | GAA (0.33) | — | |
| SCHEMBL5585816 | 0.81 | GAA (0.31) | — | |
| SCHEMBL15996731 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3041841-B1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-06-05 | — | — | EP | disclosed |
| EP-1836238-A1 | FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM | Bridgestone Corporation (JP) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006076629-A1 | FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM | BRIDGESTONE CORPORATION (JP) | 2006-07-20 | — | — | WO | disclosed |