⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42680 | 0.72 | — | — | |
| SCHEMBL3325067 | 0.70 | — | — | |
| SCHEMBL786488 | 0.67 | — | — | |
| SCHEMBL9075990 | 0.67 | — | — | |
| SCHEMBL3140760 | 0.67 | — | — | |
| SCHEMBL4035473 | 0.67 | — | — | |
| SCHEMBL5932982 | 0.65 | — | — | |
| SCHEMBL3838157 | 0.65 | — | — | |
| SCHEMBL4027670 | 0.62 | — | — | |
| SCHEMBL8850986 | 0.62 | — | — |
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-1485361-A1 | AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS | Ciba SC Holding AG (CH) | 2004-12-15 | — | — | EP | claimed |
| WO-2003078406-A1 | AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS | CIBA SPECIALTY CHEMICALS HOLDING INC. (US) | 2003-09-25 | — | — | WO | claimed |
| EP-1485361-A1 | AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS | Ciba SC Holding AG (CH) | 2004-12-15 | — | — | EP | disclosed |
| WO-2003078406-A1 | AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS | CIBA SPECIALTY CHEMICALS HOLDING INC. (US) | 2003-09-25 | — | — | WO | disclosed |