⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8528851 | 0.97 | — | — | |
| SCHEMBL70430 | 0.88 | — | — | |
| SCHEMBL971638 | 0.81 | — | — | |
| SCHEMBL985 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL4420649 | 0.77 | — | — | |
| SCHEMBL7530365 | 0.77 | TTR (0.50) | — | |
| SCHEMBL8130613 | 0.77 | TTR (0.50) | — | |
| SCHEMBL1780973 | 0.77 | — | — | |
| SCHEMBL415867 | 0.77 | — | — | |
| SCHEMBL5386353 | 0.73 | ALDH1A1 (0.89) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1259522-A1 | LIGAND AND COMPLEX FOR CATALYTICALLY BLEACHING A SUBSTRATE | UNILEVER PLC (GB) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001064697-A1 | LIGAND AND COMPLEX FOR CATALYTICALLY BLEACHING A SUBSTRATE | UNILEVER PLC (GB) | 2001-09-07 | — | — | WO | disclosed |