⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2104320 | 0.77 | — | — | |
| SCHEMBL8011959 | 0.73 | — | — | |
| SCHEMBL8068554 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7527925 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL2272460 | 0.71 | — | — | |
| SCHEMBL2104091 | 0.69 | — | — | |
| SCHEMBL29114747 | 0.69 | — | — | |
| SCHEMBL30406101 | 0.67 | — | — | |
| SCHEMBL25967490 | 0.67 | — | — | |
| SCHEMBL627752 | 0.65 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100036119-A1 | FLUORINATING REAGENTS AND THEIR PREPARATION | LANXESS DEUTSCHLAND GMBH (DE) | 2010-02-11 | — | — | US | claimed |
| US-20050085474-A1 | Fluorinating reagents and their preparation | LANXESS DEUTSCHLAND GMBH (DE) | 2005-04-21 | — | — | US | claimed |
| EP-1437342-A2 | Fluorinating reactants and process for their preparation | Bayer Chemicals AG (DE) | 2004-07-14 | — | — | EP | claimed |
| US-20100036119-A1 | FLUORINATING REAGENTS AND THEIR PREPARATION | LANXESS DEUTSCHLAND GMBH (DE) | 2010-02-11 | — | — | US | disclosed |
| US-20050085474-A1 | Fluorinating reagents and their preparation | LANXESS DEUTSCHLAND GMBH (DE) | 2005-04-21 | — | — | US | disclosed |
| EP-1437342-A2 | Fluorinating reactants and process for their preparation | Bayer Chemicals AG (DE) | 2004-07-14 | — | — | EP | disclosed |
| EP-1437342-A2 | Fluorinating reactants and process for their preparation | Bayer Chemicals AG (DE) | 2004-07-14 | — | — | EP | disclosed |