⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14986936 | 0.74 | — | — | |
| SCHEMBL13797707 | 0.72 | — | — | |
| SCHEMBL2047762 | 0.70 | — | — | |
| SCHEMBL15943364 | 0.69 | — | — | |
| SCHEMBL15782595 | 0.69 | — | — | |
| SCHEMBL11827601 | 0.66 | PTGS2 (0.49) | — | |
| SCHEMBL79793 | 0.66 | ALDH1A1 (0.53) | — | |
| SCHEMBL7876460 | 0.63 | — | — | |
| SCHEMBL2210464 | 0.61 | GAA (0.33) | — | |
| SCHEMBL3791857 | 0.61 | GAA (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1310533-B2 | Ink composition containing a particular type of dye, and corresponding ink jet printing process | AGFA GRAPHICS NV (BE) | 2011-07-27 | — | — | EP | disclosed |
| EP-1717283-B1 | Ink composition containing a particular type of dye, and corresponding ink jet printing process. | AGFA GRAPHICS NV (BE) | 2008-07-16 | — | — | EP | disclosed |
| US-7281788-B2 | Ink for inkjet recording, ink set for inkjet recording and inkjet recording method | FUJIFILM CORPORATION (JP) | 2007-10-16 | — | — | US | disclosed |
| EP-1310533-B1 | Ink composition containing a particular type of dye, and corresponding ink jet printing process | AGFA GEVAERT (BE) | 2007-01-10 | — | — | EP | disclosed |