⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1013212 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3490277 | 0.97 | CD44 (0.46) | — | |
| Hydrochloric Acid SCHEMBL18341081 | 0.97 | CD44 (0.46) | — | |
| SCHEMBL416374 | 0.84 | — | — | |
| SCHEMBL112272 | 0.78 | — | — | |
| SCHEMBL29905105 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL94635 | 0.77 | — | — | |
| SCHEMBL724770 | 0.77 | — | — | |
| SCHEMBL29605286 | 0.75 | — | — | |
| SCHEMBL70747 | 0.75 | — | — |
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-119143810-A | Organic electroluminescent material and device | 环球展览公司 | 2024-12-17 | — | — | CN | disclosed |
| CN-118908903-A | Process for preparing 8-bromo-2-oxo-1, 2-dihydroquinoxaline-6-carboxylic acid derivatives | 浙江工业大学 | 2024-11-08 | — | — | CN | disclosed |
| WO-2024210572-A1 | NOVEL IMIDAZOLE DERIVATIVE AND USE THEREOF | 주식회사 펠레메드 | 2024-10-10 | — | — | WO | disclosed |
| CN-113328092-B | Aqueous holozine secondary battery based on oxazine compounds with multiple oxidation states | 常州大学 | 2022-04-26 | — | — | CN | disclosed |