⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4432858 | 0.85 | NFKB1 (0.33) | — | |
| SCHEMBL4101157 | 0.80 | NFKB1 (0.30) | — | |
| SCHEMBL17395687 | 0.80 | — | — | |
| SCHEMBL27427022 | 0.78 | — | — | |
| SCHEMBL8026021 | 0.77 | NFKB1 (0.39) | — | |
| SCHEMBL9785047 | 0.76 | TSHR (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL14579022 | 0.76 | DNM1 (0.31) | — | |
| SCHEMBL17395690 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL28410700 | 0.74 | — | — | |
| SCHEMBL28098651 | 0.73 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118922168-A | Sun cream additive | 西姆莱斯股份公司 | 2024-11-08 | — | — | CN | disclosed |
| CN-118891030-A | Hair care compositions | 西姆莱斯股份公司 | 2024-11-01 | — | — | CN | disclosed |
| CN-118829416-A | Composition (III) | 西姆莱斯股份公司 | 2024-10-22 | — | — | CN | disclosed |
| CN-118159632-A | Perfume and perfume mixture | 西姆莱斯股份公司 | 2024-06-07 | — | — | 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-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 |