⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1806947 | 0.65 | — | — | |
| SCHEMBL827658 | 0.45 | — | — | |
| SCHEMBL6048993 | 0.41 | — | — | |
| SCHEMBL4354634 | 0.41 | — | — | |
| SCHEMBL433010 | 0.35 | — | — | |
| Lindane SCHEMBL9242537 | 0.31 | LMNA (1.00) | — | |
| Lindane SCHEMBL75689 | 0.31 | LMNA (1.00) | — | |
| Lindane SCHEMBL9120917 | 0.31 | LMNA (1.00) | — | |
| Lindane SCHEMBL10795898 | 0.31 | LMNA (1.00) | — | |
| Lindane SCHEMBL8110265 | 0.31 | LMNA (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6780229-B2 | COMPOSITION COMPRISING COLORANT, SULFANILIC ACID DERIVATIVE, ORGANIC SOLVENT, HYDROTROPIC AGENT, BIOCIDE, SURFACTANT AND WATER; INK JET PRINTING INK | AVECIA LIMITED (GB) | 2004-08-24 | — | — | US | disclosed |
| EP-1263899-B1 | INKS | AVECIA LTD (GB) | 2003-12-17 | — | — | EP | disclosed |
| US-20030116058-A1 | Inks | AVECIA INKJET LIMITED (GB) | 2003-06-26 | — | — | US | disclosed |