⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2158806 | 0.69 | — | — | |
| SCHEMBL3787565 | 0.65 | — | — | |
| SCHEMBL14637621 | 0.65 | — | — | |
| SCHEMBL351951 | 0.65 | — | — | |
| SCHEMBL2335522 | 0.61 | — | — | |
| SCHEMBL28582860 | 0.58 | — | — | |
| SCHEMBL31067250 | 0.55 | — | — | |
| SCHEMBL23829614 | 0.49 | — | — | |
| Benzene SCHEMBL23303796 | 0.48 | TP53 (0.33) | — | |
| SCHEMBL5146466 | 0.46 | CA1 (0.50) | — |
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-115710720-A | Method for realizing high-efficiency electrocatalytic hydrogenation by using metal-free heterocyclic molecular catalyst | 西北工业大学 | 2023-02-24 | — | — | CN | disclosed |
| CN-107428732-A | Substituted 2-thioimidazolyl carboxamides as pest control agents | 拜耳作物科学股份公司 | 2017-12-01 | — | — | CN | disclosed |