⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21077868 | 0.83 | — | — | |
| SCHEMBL22701126 | 0.66 | — | — | |
| SCHEMBL27426401 | 0.66 | — | — | |
| SCHEMBL27438414 | 0.66 | — | — | |
| SCHEMBL24495447 | 0.63 | — | — | |
| SCHEMBL14608868 | 0.63 | — | — | |
| SCHEMBL13552263 | 0.63 | — | — | |
| SCHEMBL4663783 | 0.63 | — | — | |
| SCHEMBL13451686 | 0.62 | — | — | |
| SCHEMBL16479777 | 0.62 | — | — |
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 |