⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1401913 | 0.87 | CYP1A2 (0.52) | — | |
| SCHEMBL7760771 | 0.84 | — | — | |
| SCHEMBL27713953 | 0.84 | DGKA (0.50) | — | |
| SCHEMBL17228573 | 0.81 | CAMK2A (0.48) | — | |
| SCHEMBL6242798 | 0.81 | CYP1A2 (0.44) | — | |
| SCHEMBL27684698 | 0.79 | CAMK2A (0.46) | — | |
| SCHEMBL36646 | 0.79 | — | — | |
| SCHEMBL27873348 | 0.78 | — | — | |
| SCHEMBL1401914 | 0.78 | TSHR (0.54) | — | |
| Ammonia Solution, Strong SCHEMBL11819014 | 0.77 | CAMK2A (0.43) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119968452-A | Perfume mixture (VI) | 西姆莱斯股份公司 | 2025-05-09 | — | — | CN | disclosed |
| CN-119790128-A | Perfume mixture (III) | 西姆莱斯股份公司 | 2025-04-08 | — | — | CN | disclosed |
| CN-119317696-A | Perfume mixture (V) | 西姆莱斯股份公司 | 2025-01-14 | — | — | CN | disclosed |
| CN-119317695-A | Perfume mixture (V) | 西姆莱斯股份公司 | 2025-01-14 | — | — | CN | disclosed |
| CN-119255980-A | Perfume with cyclopropyl structure | 西姆莱斯股份公司 | 2025-01-03 | — | — | CN | disclosed |
| CN-118829416-A | Composition (III) | 西姆莱斯股份公司 | 2024-10-22 | — | — | CN | disclosed |
| CN-117813077-A | Composition and method for producing the same | 西姆莱斯股份公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-113710331-B | Antimicrobial mixture | 西姆莱斯股份公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-116997316-A | Perfume mixture containing isochronic alcohol (Isocitronellol) | 西姆莱斯股份公司 | 2023-11-03 | — | — | 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-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 |