⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15229857 | 0.88 | — | — | |
| Tetrylammonium SCHEMBL5622110 | 0.80 | TSHR (0.32) | — | |
| Silver SCHEMBL15232747 | 0.78 | — | — | |
| SCHEMBL8781561 | 0.73 | BBOX1 (0.34) | — | |
| SCHEMBL19348687 | 0.73 | BBOX1 (0.34) | — | |
| Tetrylammonium SCHEMBL3271235 | 0.72 | TSHR (0.36) | — | |
| Phosphoric Acid SCHEMBL4405667 | 0.72 | BBOX1 (0.42) | — | |
| SCHEMBL17273540 | 0.72 | — | — | |
| Potassium Ion SCHEMBL6053281 | 0.71 | CA1 (0.31) | — | |
| Tetramethylammonium Ion SCHEMBL12469916 | 0.71 | — | — |
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-1495035-B1 | METHOD FOR THE PRODUCTION OF BIS(PERFLUOROALKYL)PHOSPHINIC ACIDS AND THE SALTS THEREOF | MERCK PATENT GMBH (DE) | 2010-06-30 | — | — | EP | claimed |
| EP-1495035-B1 | METHOD FOR THE PRODUCTION OF BIS(PERFLUOROALKYL)PHOSPHINIC ACIDS AND THE SALTS THEREOF | MERCK PATENT GMBH (DE) | 2010-06-30 | — | — | EP | disclosed |