⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21077937 | 0.89 | KDM4E (0.32) | — | |
| SCHEMBL4146680 | 0.79 | — | — | |
| SCHEMBL8802510 | 0.78 | — | — | |
| SCHEMBL19015421 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL23901476 | 0.66 | — | — | |
| SCHEMBL27914952 | 0.66 | — | — | |
| SCHEMBL26248265 | 0.66 | KDM4E (0.30) | — | |
| SCHEMBL9180586 | 0.64 | — | — | |
| SCHEMBL9175501 | 0.64 | — | — | |
| SCHEMBL10563147 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3041841-B1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-06-05 | — | — | EP | disclosed |