⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25465116 | 0.71 | — | — | |
| SCHEMBL18871624 | 0.69 | — | — | |
| SCHEMBL3123940 | 0.69 | — | — | |
| SCHEMBL23396763 | 0.69 | — | — | |
| SCHEMBL23135869 | 0.69 | — | — | |
| SCHEMBL18743026 | 0.67 | — | — | |
| SCHEMBL14705769 | 0.67 | — | — | |
| SCHEMBL9638971 | 0.67 | — | — | |
| SCHEMBL23652626 | 0.65 | — | — | |
| SCHEMBL22051470 | 0.65 | — | — |
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-3135668-A1 | NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2017-03-01 | — | — | EP | disclosed |