⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16016542 | 0.74 | — | — | |
| SCHEMBL14724918 | 0.73 | — | — | |
| SCHEMBL10080252 | 0.73 | — | — | |
| SCHEMBL18571292 | 0.72 | — | — | |
| SCHEMBL14730226 | 0.72 | — | — | |
| SCHEMBL14730590 | 0.72 | — | — | |
| SCHEMBL17506948 | 0.72 | — | — | |
| SCHEMBL7885465 | 0.72 | — | — | |
| SCHEMBL22537788 | 0.72 | — | — | |
| SCHEMBL22130039 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015163427-A1 | NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND | 田辺三菱製薬株式会社 | 2015-10-29 | — | — | WO | disclosed |
| WO-2013163466-A1 | INHIBITORS OF HEPATITIS C VIRUS | PRESIDIO PHARMACEUTICALS, INC. (US) | 2013-10-31 | — | — | WO | disclosed |
| EP-2562163-A1 | 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2013-02-27 | — | — | EP | disclosed |