⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13925278 | 0.86 | CCNA2 (0.31) | — | |
| SCHEMBL13929380 | 0.80 | FLT3 (0.31) | — | |
| SCHEMBL13925276 | 0.80 | FLT3 (0.33) | — | |
| SCHEMBL13925393 | 0.77 | CDK2 (0.38) | — | |
| SCHEMBL13622475 | 0.75 | — | — | |
| SCHEMBL13925668 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL13310915 | 0.72 | KDM4E (0.35) | — | |
| SCHEMBL13925392 | 0.69 | JAK3 (0.38) | — | |
| SCHEMBL13925388 | 0.67 | CCNA2 (0.36) | — | |
| SCHEMBL13929478 | 0.66 | CDK1 (0.32) | — |
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-2039725-A2 | Azo pigment and pigment dispersion | FUJIFILM Corporation (JP) | 2009-03-25 | — | — | EP | disclosed |