⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2228827 | 0.97 | — | — | |
| Phosphoric Acid SCHEMBL29016943 | 0.89 | CDC25A (0.34) | — | |
| SCHEMBL16209096 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL29016995 | 0.78 | — | — | |
| SCHEMBL2857671 | 0.76 | — | — | |
| SCHEMBL16566642 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL12757222 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL19307668 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL8504637 | 0.76 | KDM4E (0.33) | — | |
| Cyclopropane SCHEMBL8849477 | 0.76 | KDM4E (0.33) | — |
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-1950196-A1 | Method for manufacturing ammonium hexafluorphosphates | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2008-07-30 | — | — | EP | disclosed |