⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13929504 | 0.63 | JAK3 (0.33) | — | |
| SCHEMBL13929478 | 0.63 | CDK1 (0.32) | — | |
| SCHEMBL13929380 | 0.61 | FLT3 (0.31) | — | |
| SCHEMBL13929502 | 0.59 | CCNA2 (0.41) | — | |
| SCHEMBL1746875 | 0.50 | KDM4E (0.44) | — | |
| Hydrochloric Acid SCHEMBL13738814 | 0.50 | GSK3B (0.42) | — | |
| SCHEMBL16841139 | 0.50 | GAA (0.46) | — | |
| SCHEMBL29178038 | 0.49 | CA12 (0.44) | — | |
| Hydrochloric Acid SCHEMBL6947520 | 0.49 | PDE4A (0.52) | — | |
| SCHEMBL31301512 | 0.49 | RAB9A (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-2039726-A2 | Azo pigment and pigment dispersion | FUJIFILM Corporation (JP) | 2009-03-25 | — | — | EP | disclosed |