⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23991177 | 0.86 | CA1 (0.32) | — | |
| SCHEMBL21541222 | 0.78 | — | — | |
| SCHEMBL18805110 | 0.78 | — | — | |
| SCHEMBL26874272 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL17864896 | 0.77 | — | — | |
| SCHEMBL23940181 | 0.77 | — | — | |
| SCHEMBL17038661 | 0.77 | — | — | |
| SCHEMBL18805108 | 0.77 | — | — | |
| SCHEMBL22017946 | 0.75 | CYP2C9 (0.30) | — | |
| SCHEMBL17847267 | 0.75 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3896054-B1 | FLUORINATED COMPOUNDS | MERCK PATENT GMBH (DE) | 2023-07-12 | — | — | EP | disclosed |
| US-20210340383-A1 | FLUORINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-11-04 | — | — | US | disclosed |
| EP-3233784-B1 | COMPOUNDS WITH FLUORINATED END GROUPS AND THEIR USE IN DIRT-REPELLENT COATINGS | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| EP-3896054-A2 | FLUORINATED COMPOUNDS | Merck Patent GmbH (DE) | 2021-10-20 | — | — | EP | disclosed |
| US-11118066-B2 | Fluorine compounds | MERCK PATENT GMBH (DE) | 2021-09-14 | — | — | US | disclosed |
| US-20170349760-A1 | FLUORINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2017-12-07 | — | — | US | disclosed |
| US-20170349760-A1 | FLUORINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2017-12-07 | — | — | US | disclosed |
| WO-2016096129-A1 | FLUORINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2016-06-23 | — | — | WO | disclosed |