⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL170117 | 0.95 | — | — | |
| SCHEMBL5760792 | 0.91 | — | — | |
| SCHEMBL887973 | 0.91 | — | — | |
| SCHEMBL411 | 0.91 | — | — | |
| Bromide SCHEMBL1521338 | 0.86 | — | — | |
| Phosphine SCHEMBL5862962 | 0.86 | — | — | |
| Water SCHEMBL8082748 | 0.86 | — | — | |
| Iodide SCHEMBL20502819 | 0.86 | — | — | |
| SCHEMBL15013516 | 0.86 | — | — | |
| SCHEMBL1434105 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6110636-A | Polyelectrolyte toner processes | XEROX CORPORATION (US) | 2000-08-29 | — | — | US | disclosed |