⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29154227 | 0.68 | — | — | |
| SCHEMBL1701461 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6663557 | 0.65 | KDM4E (0.40) | — | |
| SCHEMBL28246896 | 0.59 | — | — | |
| SCHEMBL34460307 | 0.59 | — | — | |
| SCHEMBL34460214 | 0.59 | — | — | |
| SCHEMBL1899979 | 0.57 | — | — | |
| Fluoride SCHEMBL28181689 | 0.57 | — | — | |
| SCHEMBL7339316 | 0.57 | ALDH1A1 (0.31) | — | |
| SCHEMBL19053856 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2653505-B1 | AZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED MATERIAL | NIPPON KAYAKU KK (JP) | 2016-07-20 | — | — | EP | disclosed |
| EP-2653505-A1 | AZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED MATERIAL | Nippon Kayaku Kabushiki Kaisha (JP) | 2013-10-23 | — | — | EP | disclosed |