⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24277047 | 0.71 | — | — | |
| SCHEMBL11608976 | 0.71 | — | — | |
| SCHEMBL24355710 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL16847590 | 0.70 | — | — | |
| SCHEMBL1120060 | 0.70 | — | — | |
| SCHEMBL18176561 | 0.70 | — | — | |
| SCHEMBL21037937 | 0.67 | — | — | |
| SCHEMBL24224354 | 0.67 | — | — | |
| SCHEMBL133715 | 0.64 | — | — | |
| SCHEMBL3073668 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0025142-B1 | POLYQUATERNARY AMMONIUM COMPOUNDS, THEIR PREPARATION, THEIR USE IN PAPER MANUFACTURING AND PAPER TREATING AGENTS CONTAINING THEM | BAYER AG (DE) | 1984-08-08 | — | — | EP | claimed |