⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13875181 | 0.81 | — | — | |
| SCHEMBL359300 | 0.76 | — | — | |
| SCHEMBL13300115 | 0.72 | — | — | |
| SCHEMBL1439871 | 0.72 | — | — | |
| SCHEMBL14364783 | 0.72 | — | — | |
| SCHEMBL13118397 | 0.72 | — | — | |
| SCHEMBL140726 | 0.69 | PTGS1 (0.34) | — | |
| SCHEMBL20901395 | 0.69 | PTGS1 (0.34) | — | |
| SCHEMBL22175255 | 0.69 | PTGS1 (0.34) | — | |
| SCHEMBL10049396 | 0.69 | PTGS1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2042571-B1 | Ink composition | FUJIFILM CORP (JP) | 2012-03-14 | — | — | EP | disclosed |
| US-20090088492-A1 | INK COMPOSITION | FUJIFILM CORPORATION (JP) | 2009-04-02 | — | — | US | disclosed |
| EP-2042571-A1 | Ink composition | Fujifilm Corporation (JP) | 2009-04-01 | — | — | EP | disclosed |