⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14892646 | 0.72 | — | — | |
| SCHEMBL263932 | 0.70 | — | — | |
| SCHEMBL333765 | 0.69 | — | — | |
| SCHEMBL333759 | 0.69 | — | — | |
| SCHEMBL21315974 | 0.69 | — | — | |
| SCHEMBL332871 | 0.69 | — | — | |
| SCHEMBL27990717 | 0.67 | FFAR3 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL20917784 | 0.67 | FFAR3 (0.50) | — | |
| SCHEMBL23163 | 0.65 | — | — | |
| Bicarbonate SCHEMBL21051129 | 0.64 | CA2 (0.42) | — |
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-9957256-B2 | Process for the preparation of 5-fluoro-1H-pyrazoles starting from hexafluoropropene | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-05-01 | — | — | US | disclosed |
| US-20170190690-A1 | Process for the preparation of 5-fluoro-1H-pyrazoles starting from hexafluoropropene | ELANCO ANIMAL HEALTH GMBH (DE) | 2017-07-06 | — | — | US | disclosed |