⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31114729 | 0.77 | — | — | |
| SCHEMBL27371180 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28009124 | 0.75 | — | — | |
| SCHEMBL28726380 | 0.74 | — | — | |
| SCHEMBL324650 | 0.72 | — | — | |
| SCHEMBL30970868 | 0.71 | — | — | |
| SCHEMBL27429234 | 0.71 | — | — | |
| SCHEMBL2541403 | 0.67 | — | — | |
| SCHEMBL27277516 | 0.67 | — | — | |
| SCHEMBL22056879 | 0.66 | — | — |
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-2320854-A2 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | Henkel AG & Co. KGaA (DE) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010029006-A2 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2010-03-18 | — | — | WO | disclosed |