⚠ 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 | |
|---|---|---|---|---|
| N-Propyl Bromide SCHEMBL28865909 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL170117 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL8060320 | 0.81 | — | — | |
| SCHEMBL411 | 0.80 | — | — | |
| SCHEMBL887973 | 0.80 | — | — | |
| SCHEMBL5760792 | 0.80 | — | — | |
| Alcohol SCHEMBL28113539 | 0.79 | — | — | |
| Methylamine SCHEMBL11349642 | 0.77 | — | — | |
| Iodomethane SCHEMBL28127261 | 0.77 | — | — | |
| Methyl Alcohol SCHEMBL6662223 | 0.77 | — | — |
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-6583234-B2 | Ink jet printing; reacting allyl bromide with diethylamine to form allyldiethylamine, quaternization with allyl bromide to form diallyl diethylammonium bromide; solution polymerization | XEROX CORPORATION | 2003-06-24 | — | — | US | disclosed |
| US-20030027948-A1 | Process for preparing waterfastness additive | XEROX CORPORATION | 2003-02-06 | — | — | US | disclosed |