⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19184564 | 1.00 | — | — | |
| SCHEMBL1370419 | 1.00 | — | — | |
| SCHEMBL805402 | 1.00 | — | — | |
| SCHEMBL782466 | 1.00 | — | — | |
| SCHEMBL19985168 | 1.00 | — | — | |
| Bromide SCHEMBL15557589 | 0.97 | SI (0.48) | — | |
| Hydrochloric Acid SCHEMBL23456055 | 0.97 | SI (0.48) | — | |
| Bromide SCHEMBL4099427 | 0.97 | SI (0.48) | — | |
| SCHEMBL6778665 | 0.83 | — | — | |
| SCHEMBL16433274 | 0.77 | SI (0.54) | — |
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-3985007-A1 | TRIAZOLOPYRIMIDINE COMPOUND AND SALT, COMPOSITION AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-04-20 | — | — | EP | disclosed |