⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27614023 | 0.98 | — | — | |
| SCHEMBL2733370 | 0.84 | — | — | |
| SCHEMBL2733374 | 0.84 | GAA (0.33) | — | |
| SCHEMBL13645697 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4445305 | 0.83 | GAA (0.34) | — | |
| SCHEMBL27228252 | 0.83 | — | — | |
| SCHEMBL11152233 | 0.82 | NPC1 (0.30) | — | |
| SCHEMBL15686223 | 0.82 | GAA (0.34) | — | |
| SCHEMBL11174237 | 0.82 | GBA1 (0.39) | — | |
| SCHEMBL4347877 | 0.82 | GBA1 (0.39) | — |
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-7598012-B2 | Coloring compound and recording material using the same | CANON KABUSHIKI KAISHA (JP) | 2009-10-06 | — | — | US | disclosed |
| US-7598012-B2 | Coloring compound and recording material using the same | CANON KABUSHIKI KAISHA (JP) | 2009-10-06 | — | — | US | disclosed |