⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12052401 | 0.86 | MAPT (0.31) | — | |
| SCHEMBL10052059 | 0.81 | XDH (0.30) | — | |
| SCHEMBL1612905 | 0.80 | — | — | |
| SCHEMBL58834 | 0.71 | PTGS2 (0.34) | — | |
| SCHEMBL12552920 | 0.70 | MAPT (0.39) | — | |
| SCHEMBL12552924 | 0.68 | MAPT (0.41) | — | |
| SCHEMBL10052061 | 0.68 | MAPT (0.38) | — | |
| SCHEMBL10052057 | 0.65 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL58810 | 0.65 | XDH (0.41) | — | |
| SCHEMBL10052068 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8114208-B2 | Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus | CANON KABUSHIKI KAISHA (JP) | 2012-02-14 | — | — | US | disclosed |
| US-20090274839-A1 | INK JET INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS | CANON KABUSHIKI KAISHA (JP) | 2009-11-05 | — | — | US | disclosed |