⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL911012 | 0.63 | — | — | |
| SCHEMBL16556882 | 0.58 | — | — | |
| SCHEMBL8036365 | 0.57 | — | — | |
| SCHEMBL2142376 | 0.57 | — | — | |
| SCHEMBL27901819 | 0.57 | — | — | |
| SCHEMBL790988 | 0.57 | — | — | |
| SCHEMBL19528602 | 0.57 | — | — | |
| SCHEMBL13155115 | 0.57 | — | — | |
| SCHEMBL1304042 | 0.57 | — | — | |
| SCHEMBL4395206 | 0.57 | — | — |
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 |