⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16144920 | 0.93 | — | — | |
| SCHEMBL19049 | 0.93 | — | — | |
| SCHEMBL29035022 | 0.86 | — | — | |
| Water SCHEMBL10718204 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL297825 | 0.86 | — | — | |
| Bromide SCHEMBL10323027 | 0.86 | — | — | |
| SCHEMBL5472373 | 0.80 | — | — | |
| Chloromethane SCHEMBL20522098 | 0.80 | — | — | |
| Methylamine SCHEMBL28673634 | 0.80 | — | — | |
| SCHEMBL4412936 | 0.80 | ALDH1A1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-121149374-B | Positive electrode and sodium ion battery and preparation method thereof | 衡阳电科电源有限公司 | 2026-02-17 | — | — | CN | disclosed |
| CN-121149374-A | Positive electrode and sodium ion battery and preparation method thereof | 衡阳电科电源有限公司 | 2025-12-16 | — | — | CN | disclosed |
| CN-114681443-B | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2024-05-10 | — | — | CN | disclosed |
| CN-116789648-A | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2023-09-22 | — | — | CN | disclosed |
| CN-114466838-B | Nitrile-containing antiviral compounds | 辉瑞大药厂 | 2023-05-02 | — | — | CN | disclosed |