⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL105579 | 0.82 | — | — | |
| SCHEMBL3145010 | 0.77 | SMYD3 (0.33) | — | |
| SCHEMBL21436933 | 0.74 | CYP19A1 (0.32) | — | |
| Trimethylammonium SCHEMBL28407532 | 0.74 | — | — | |
| SCHEMBL106690 | 0.73 | — | — | |
| SCHEMBL105968 | 0.73 | — | — | |
| SCHEMBL28836124 | 0.72 | — | — | |
| SCHEMBL106934 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL106805 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL13269215 | 0.72 | ALDH1A1 (0.32) | — |
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-114768555-B | Modified polyamide separation membrane and preparation method thereof | 清华大学 | 2024-02-06 | — | — | CN | disclosed |
| CN-115090133-B | Amination SiO 2 Nanoparticle/polyamide organic solvent resistant separation membrane, and preparation method and application thereof | 北京交通大学 | 2023-09-08 | — | — | CN | disclosed |
| CN-115090133-A | Aminated SiO 2 Nano particle/polyamide organic solvent resistant separation membrane and preparation method and application thereof | 北京交通大学 | 2022-09-23 | — | — | CN | disclosed |
| CN-114768555-A | Modified polyamide separation membrane and preparation method thereof | 清华大学 | 2022-07-22 | — | — | CN | disclosed |