⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1445489 | 0.73 | MAOB (0.40) | — | |
| SCHEMBL12872770 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL12050118 | 0.70 | MMP1 (0.33) | — | |
| SCHEMBL20421907 | 0.69 | L3MBTL1 (0.56) | — | |
| SCHEMBL95700 | 0.69 | CA1 (0.39) | — | |
| SCHEMBL12136705 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL12050137 | 0.69 | MMP1 (0.30) | — | |
| SCHEMBL12489653 | 0.69 | LMNA (0.41) | — | |
| SCHEMBL23235604 | 0.68 | BIRC2 (0.39) | — | |
| SCHEMBL14667355 | 0.67 | HTT (0.53) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140004458-A1 | MAGENTA TONER | CANON KABUSHIKI KAISHA (JP) | 2014-01-02 | — | — | US | disclosed |
| US-20140005417-A1 | WATER-INSOLUBLE COLORING COMPOUND, INK, RESIST COMPOSITION FOR COLOR FILTER, AND THERMAL TRANSFER RECORDING SHEET | CANON KABUSHIKI KAISHA (JP) | 2014-01-02 | — | — | US | disclosed |