⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1809829 | 0.77 | — | — | |
| SCHEMBL1809831 | 0.77 | — | — | |
| SCHEMBL3895109 | 0.77 | GPR119 (0.36) | — | |
| SCHEMBL1809828 | 0.77 | — | — | |
| SCHEMBL696010 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL1201605 | 0.74 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL28038248 | 0.74 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL345144 | 0.74 | — | — | |
| SCHEMBL6294156 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL5946474 | 0.73 | ALDH1A1 (0.40) | — |
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-3412734-B1 | DYE COMPOUND, COMPOSITION COMPRISING THE DYE COMPOUND, AND DISPLAY DEVICE USING THE DYE COMPOUND | SAMSUNG DISPLAY CO LTD (KR) | 2019-08-07 | — | — | EP | disclosed |