⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9778634 | 0.97 | — | — | |
| SCHEMBL9778632 | 0.97 | — | — | |
| SCHEMBL28594687 | 0.97 | — | — | |
| SCHEMBL35692 | 0.74 | — | — | |
| SCHEMBL9778776 | 0.74 | — | — | |
| SCHEMBL11435609 | 0.72 | — | — | |
| SCHEMBL9647655 | 0.72 | — | — | |
| SCHEMBL15157995 | 0.72 | — | — | |
| SCHEMBL5932282 | 0.72 | — | — | |
| SCHEMBL7830271 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115975712-B | Water-based microemulsified cutting fluid and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2024-07-05 | — | — | CN | disclosed |
| CN-116638096-A | Preparation method of water-soluble nano copper and application of water-soluble nano copper and proton-type ionic liquid as water-based lubricating liquid additive | 中国科学院兰州化学物理研究所 | 2023-08-25 | — | — | CN | disclosed |
| CN-115975712-A | Water-based micro-emulsified cutting fluid and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2023-04-18 | — | — | CN | disclosed |
| CN-113083514-B | Double-ligand type oxadiazole thioketone collecting agent and preparation method and application thereof | 山东理工大学 | 2022-05-27 | — | — | CN | disclosed |
| CN-113083514-A | Double-ligand type oxadiazole thioketone collecting agent and preparation method and application thereof | 山东理工大学 | 2021-07-09 | — | — | CN | disclosed |
| US-5055211-A | Lubricating oil containing a mixed ligand metal complex and a metal thiophosphate | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-10-08 | — | — | US | disclosed |