⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL509354 | 0.94 | — | — | |
| SCHEMBL6136779 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL5173541 | 0.89 | — | — | |
| SCHEMBL8915249 | 0.89 | — | — | |
| Phosphonic Acid SCHEMBL3058182 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL18187079 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL21569376 | 0.71 | — | — | |
| Phosphonic Acid SCHEMBL27843922 | 0.71 | — | — | |
| SCHEMBL571966 | 0.68 | — | — | |
| Phosphonic Acid SCHEMBL3694758 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7145004-B2 | Method for the production of monohydro-perfluoroalkanes, bis(perfluoroalkyl)phosphinates and perfluoroalkylphosphonates | MERCK PATENT GESELLSCHAFT (DE) | 2006-12-05 | — | — | US | disclosed |
| US-20050222411-A1 | Method for the production of monohydro-perfluoroalkanes, bis (perfluoroalkyl) phosphinates and perfluoroalkylphosphonates | MERCK PATENT GMBH (DE) | 2005-10-06 | — | — | US | disclosed |