⚠ 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL7625676 | 0.89 | FFAR3 (0.71) | — | |
| Fluoroacetate SCHEMBL28121316 | 0.88 | — | — | |
| Fluoroacetate SCHEMBL5908770 | 0.88 | — | — | |
| Fluoroacetate SCHEMBL13651728 | 0.88 | — | — | |
| Fluoroacetate SCHEMBL78188 | 0.88 | — | — | |
| Fluoroacetate SCHEMBL1483186 | 0.86 | — | — | |
| Fluoroacetate SCHEMBL27523861 | 0.85 | — | — | |
| Fluoroacetate SCHEMBL4908170 | 0.84 | — | — | |
| Fluoroacetate SCHEMBL6914892 | 0.84 | — | — | |
| Fluoroacetate SCHEMBL19915180 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110452173-A | A kind of new method for manufacturing pyrazoles or pyrimidone | FUJIAN YONGJING TECH CO LTD | 2019-11-15 | — | — | CN | disclosed |