⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17159657 | 0.73 | PDE10A (0.32) | — | |
| SCHEMBL31130780 | 0.73 | — | — | |
| SCHEMBL22625551 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL31532588 | 0.69 | — | — | |
| SCHEMBL27276961 | 0.67 | NPBWR1 (0.31) | — | |
| SCHEMBL21570445 | 0.66 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL30944657 | 0.64 | CA12 (0.35) | — | |
| SCHEMBL31130782 | 0.63 | — | — | |
| SCHEMBL30971396 | 0.62 | LPL (0.35) | — | |
| SCHEMBL22334277 | 0.59 | — | — |
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-105934429-A | Process for preparing 5-fluoro-1H-pyrazoles | 拜耳作物科学股份公司 | 2016-09-07 | — | — | CN | disclosed |