⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13330321 | 0.99 | — | — | |
| SCHEMBL13330322 | 0.97 | — | — | |
| SCHEMBL13330336 | 0.97 | — | — | |
| SCHEMBL13330323 | 0.94 | — | — | |
| SCHEMBL13330332 | 0.93 | — | — | |
| SCHEMBL13330335 | 0.93 | — | — | |
| SCHEMBL13330324 | 0.93 | — | — | |
| SCHEMBL13330310 | 0.93 | CSNK2A1 (0.31) | — | |
| SCHEMBL13330311 | 0.93 | CSNK2A1 (0.31) | — | |
| SCHEMBL13330303 | 0.91 | RHOA (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100118067-A1 | WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED PRODUCT | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2010-05-13 | — | — | US | disclosed |