⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22828482 | 0.78 | — | — | |
| SCHEMBL23994546 | 0.75 | — | — | |
| SCHEMBL23994967 | 0.70 | — | — | |
| SCHEMBL14401647 | 0.69 | — | — | |
| SCHEMBL16127547 | 0.69 | — | — | |
| SCHEMBL11052473 | 0.68 | — | — | |
| SCHEMBL16790334 | 0.65 | DNM1 (0.32) | — | |
| SCHEMBL18545323 | 0.64 | DNM1 (0.31) | — | |
| SCHEMBL19606097 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL27279754 | 0.62 | ADH1B (0.34) | — |
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-3472161-B1 | TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF | NOVARTIS AG (CH) | 2020-03-25 | — | — | EP | disclosed |