⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL292374 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL3645980 | 0.80 | — | — | |
| Propene SCHEMBL11508927 | 0.76 | — | — | |
| Diethylamine SCHEMBL29021919 | 0.74 | TP53 (0.42) | — | |
| Formic Acid SCHEMBL28382518 | 0.71 | — | — | |
| Propionitrile SCHEMBL28851822 | 0.71 | — | — | |
| Diethylamine SCHEMBL2588947 | 0.70 | — | — | |
| Acetonitrile SCHEMBL27663667 | 0.69 | — | — | |
| Diethylamine SCHEMBL28353038 | 0.67 | TP53 (0.57) | — | |
| Formic Acid SCHEMBL5387621 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112409279-B | Production process for increasing yield of hexazinone | 安徽广信农化股份有限公司 | 2022-05-03 | — | — | CN | disclosed |
| CN-112409279-A | Production process for increasing yield of hexazinone | 安徽广信农化股份有限公司 | 2021-02-26 | — | — | CN | disclosed |