⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28025714 | 0.83 | — | — | |
| SCHEMBL27435422 | 0.78 | — | — | |
| SCHEMBL3915521 | 0.78 | — | — | |
| SCHEMBL4270836 | 0.73 | NFKB1 (0.33) | — | |
| SCHEMBL11067549 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL170781 | 0.71 | — | — | |
| SCHEMBL28704185 | 0.71 | — | — | |
| SCHEMBL9113432 | 0.71 | — | — | |
| SCHEMBL10850590 | 0.70 | ALDH1A1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL28070320 | 0.70 | ALDH1A1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115466228-B | N-difluoromethyl triazole selenourea compound with insecticidal, bactericidal and herbicidal functions and application thereof | 华南农业大学 | 2024-05-10 | — | — | CN | disclosed |
| CN-114685495-B | N-difluoromethyl diazacyclo selenourea compound with insecticidal, bacteriostatic, herbicidal and anticancer effects and preparation and application thereof | 华南农业大学 | 2023-08-04 | — | — | CN | disclosed |
| CN-115466228-A | N-difluoromethyl triazole selenourea compound with insecticidal, bactericidal and weeding functions and application thereof | 华南农业大学 | 2022-12-13 | — | — | CN | disclosed |
| CN-114685495-A | N-difluoromethyl dinitrogen heterocyclic selenourea compounds with insecticidal, antibacterial, herbicidal and anticancer effects, and preparation and application thereof | 华南农业大学 | 2022-07-01 | — | — | CN | disclosed |