⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28079547 | 0.79 | TSHR (0.40) | — | |
| Propane SCHEMBL28272515 | 0.78 | — | — | |
| SCHEMBL7938196 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL11336827 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL5907424 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL15026 | 0.72 | — | — | |
| SCHEMBL246493 | 0.72 | — | — | |
| SCHEMBL4379385 | 0.72 | — | — | |
| SCHEMBL175428 | 0.72 | TSHR (0.41) | — | |
| Methoxymethane SCHEMBL935937 | 0.70 | ALDH1A1 (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113710331-B | Antimicrobial mixture | 西姆莱斯股份公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-116963710-A | Medicine for preventing and treating hyperpigmentation | 西姆莱斯股份公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-116806825-A | Antimicrobial mixture | 西姆莱斯股份公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-116583261-A | Method for combating microorganisms using menthol derivatives | 西姆莱斯股份公司 | 2023-08-11 | — | — | CN | disclosed |
| CN-116546961-A | Composition for product protection comprising (bio) -alkanediol and antimicrobial agent | 西姆莱斯股份公司 | 2023-08-04 | — | — | CN | disclosed |
| CN-116490160-A | A mixture containing 1, 2-alkanediol | 西姆莱斯股份公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-113543637-B | Antimicrobial mixture | 西姆莱斯股份公司 | 2023-07-14 | — | — | CN | disclosed |