⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14004303 | 0.94 | — | — | |
| SCHEMBL14004304 | 0.94 | — | — | |
| SCHEMBL14004306 | 0.94 | — | — | |
| SCHEMBL14004301 | 0.91 | — | — | |
| SCHEMBL14004300 | 0.91 | — | — | |
| SCHEMBL14030065 | 0.84 | — | — | |
| SCHEMBL14030067 | 0.84 | — | — | |
| SCHEMBL14004308 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL14004305 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL14030069 | 0.81 | ENPP2 (0.31) | — |
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-20080289124-A1 | Reactive Azo Dyes, Methods for the Production Thereof and Their Use | DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) | 2008-11-27 | — | — | US | disclosed |