⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24055070 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27620993 | 0.76 | — | — | |
| SCHEMBL14998901 | 0.74 | — | — | |
| SCHEMBL2378358 | 0.74 | — | — | |
| SCHEMBL10289416 | 0.70 | — | — | |
| SCHEMBL1336780 | 0.70 | — | — | |
| SCHEMBL769735 | 0.70 | — | — | |
| SCHEMBL25967504 | 0.70 | — | — | |
| SCHEMBL1040192 | 0.67 | — | — | |
| SCHEMBL123550 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210040043-A1 | HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS | SOLVAY (BE) | 2021-02-11 | — | — | US | disclosed |
| WO-2017129759-A1 | HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS | SOLVAY SA (BE) | 2017-08-03 | — | — | WO | disclosed |
| US-5117055-A | Method for direct conversion of fluorocarbonyl group into halogenides | AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1992-05-26 | — | — | US | disclosed |