⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1553967 | 0.79 | SORT1 (0.37) | — | |
| SCHEMBL30969109 | 0.79 | SORT1 (0.37) | — | |
| SCHEMBL19993497 | 0.78 | HDAC8 (0.39) | — | |
| SCHEMBL19993496 | 0.78 | PRSS1 (0.38) | — | |
| SCHEMBL23786907 | 0.75 | HDAC1 (0.47) | — | |
| SCHEMBL22897548 | 0.74 | PRSS1 (0.39) | — | |
| SCHEMBL18789917 | 0.72 | ALDH5A1 (0.37) | — | |
| SCHEMBL18888868 | 0.71 | — | — | |
| SCHEMBL19993538 | 0.70 | MAPK14 (0.34) | — | |
| SCHEMBL7500360 | 0.69 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |