⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4271384 | 0.94 | — | — | |
| SCHEMBL2878687 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL8855779 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL6326770 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL4425591 | 0.71 | — | — | |
| SCHEMBL698012 | 0.71 | — | — | |
| SCHEMBL4425593 | 0.71 | — | — | |
| Propionic Acid SCHEMBL16738311 | 0.70 | FFAR3 (0.53) | — | |
| Propionic Acid SCHEMBL28253771 | 0.70 | FFAR3 (0.53) | — | |
| Alcohol SCHEMBL11224304 | 0.69 | MEN1 (0.44) | — |
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-7481525-B2 | Ink-jet water-based ink, ink-jet recording method, ink cartridge and ink-jet recording apparatus | CANON FINETECH INC. (JP) | 2009-01-27 | — | — | US | disclosed |
| US-20060192826-A1 | Ink-jet water-based ink, ink-jet recording method, ink cartridge and ink-jet recording apparatus | CANON FINETECH INC. (JP) | 2006-08-31 | — | — | US | disclosed |