⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17267771 | 0.76 | — | — | |
| SCHEMBL7551011 | 0.74 | — | — | |
| Ethylene SCHEMBL27584872 | 0.72 | — | — | |
| SCHEMBL20663685 | 0.72 | MCL1 (0.41) | — | |
| Methacrylic Acid SCHEMBL28099150 | 0.72 | MCL1 (0.65) | — | |
| SCHEMBL86002 | 0.71 | — | — | |
| SCHEMBL970371 | 0.71 | — | — | |
| SCHEMBL11651602 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL23091566 | 0.70 | — | — | |
| Bromide SCHEMBL28492295 | 0.69 | — | — |
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 |