⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL325170 | 0.89 | — | — | |
| Nitrous Acid SCHEMBL27258959 | 0.68 | — | — | |
| Hydrogen Sulfide SCHEMBL5770652 | 0.68 | — | — | |
| Nitrous Acid SCHEMBL7029964 | 0.68 | — | — | |
| Hydrogen Sulfide SCHEMBL28115298 | 0.63 | — | — | |
| Hydrogen Sulfide SCHEMBL5696142 | 0.63 | — | — | |
| Hydrogen Sulfide SCHEMBL11708664 | 0.63 | — | — | |
| Hydrogen Sulfide SCHEMBL11276256 | 0.63 | — | — | |
| SCHEMBL1156928 | 0.60 | — | — | |
| SCHEMBL13555402 | 0.60 | — | — |
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-0853107-B1 | Ink jet ink compositions comprising hydroxyamide derivatives and printing processes | XEROX CORP (US) | 2001-10-24 | — | — | EP | claimed |