⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2600 | 0.93 | — | — | |
| Bromide SCHEMBL22574897 | 0.90 | — | — | |
| SCHEMBL27556005 | 0.90 | — | — | |
| Iodide SCHEMBL9110774 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL1697383 | 0.90 | — | — | |
| Water SCHEMBL22231652 | 0.90 | — | — | |
| Methylamine SCHEMBL6864781 | 0.87 | — | — | |
| SCHEMBL29281958 | 0.87 | — | — | |
| Methylethylamine SCHEMBL10662543 | 0.87 | EPHX1 (0.67) | — | |
| Hydrochloric Acid SCHEMBL10556685 | 0.87 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0264897-B1 | WATER REDUCIBLE ACRYLIC POLYMER FOR PRINTING OF PAPER AND POLYVINYL CHLORIDE | PPG INDUSTRIES, INC. (US) | 1992-07-15 | — | — | EP | claimed |