⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8633705 | 0.82 | CHRM1 (0.39) | — | |
| SCHEMBL6249006 | 0.79 | — | — | |
| SCHEMBL2162019 | 0.79 | — | — | |
| SCHEMBL8633060 | 0.77 | CHRM1 (0.33) | — | |
| SCHEMBL8897127 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL12086317 | 0.76 | TDP1 (0.33) | — | |
| SCHEMBL18611265 | 0.74 | — | — | |
| SCHEMBL15691907 | 0.74 | — | — | |
| Acetic Acid SCHEMBL5029629 | 0.74 | FFAR3 (0.37) | — | |
| SCHEMBL498166 | 0.74 | — | — |
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-0853107-A1 | Ink jet ink compositions comprising hydroxyamide derivatives and printing processes | XEROX CORPORATION (US) | 1998-07-15 | — | — | EP | claimed |
| US-5693129-A | AQUEOUS MIXCTURE CONTAINING COLORING AND A HYDROXYAMIDE, THIOAMIDE, MERCAPTOAMIDE, MERCAPTOTHIOAMIDE OR AN OXYALKYLENE OR A THIOALKYLENE REACTION PRODUCT OF THE AMIDES, FOR HIGH RESOLUTION, REDUCED CURLING | XEROX CORPORATION (US) | 1997-12-02 | — | — | US | claimed |
| EP-0853107-A1 | Ink jet ink compositions comprising hydroxyamide derivatives and printing processes | XEROX CORPORATION (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5693129-A | AQUEOUS MIXCTURE CONTAINING COLORING AND A HYDROXYAMIDE, THIOAMIDE, MERCAPTOAMIDE, MERCAPTOTHIOAMIDE OR AN OXYALKYLENE OR A THIOALKYLENE REACTION PRODUCT OF THE AMIDES, FOR HIGH RESOLUTION, REDUCED CURLING | XEROX CORPORATION (US) | 1997-12-02 | — | — | US | disclosed |