⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28444711 | 1.00 | — | — | |
| SCHEMBL991133 | 1.00 | — | — | |
| SCHEMBL1336282 | 0.98 | — | — | |
| SCHEMBL28489083 | 0.95 | — | — | |
| SCHEMBL13518654 | 0.78 | — | — | |
| SCHEMBL29816703 | 0.76 | NOS2 (0.33) | — | |
| SCHEMBL28392068 | 0.71 | — | — | |
| SCHEMBL361469 | 0.70 | — | — | |
| SCHEMBL9930575 | 0.70 | — | — | |
| SCHEMBL514102 | 0.70 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112005330-B | Current cutting device for aircraft | 日本化药株式会社 | 2024-12-31 | — | — | CN | disclosed |
| CN-114099353-B | Hair-moistening essential oil composition suitable for oily hair | 广州温雅日用化妆品有限公司 | 2024-06-28 | — | — | CN | disclosed |
| CN-118159632-A | Perfume and perfume mixture | 西姆莱斯股份公司 | 2024-06-07 | — | — | CN | disclosed |
| CN-113710331-B | Antimicrobial mixture | 西姆莱斯股份公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-117320685-A | Composition for skin protection comprising an antimicrobial agent and a (bio) -alkanediol | 西姆莱斯股份公司 | 2023-12-29 | — | — | 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-116685300-A | Composition comprising one or more (bio) -alkanediols with an antioxidant | 西姆莱斯股份公司 | 2023-09-01 | — | — | CN | disclosed |
| CN-116583257-A | Compositions comprising (bio) -alkanediols | 西姆莱斯股份公司 | 2023-08-11 | — | — | 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-116528824-A | Composition comprising an ultraviolet filter and one or more (bio) -alkanediols | 西姆莱斯股份公司 | 2023-08-01 | — | — | 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 |