⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15031949 | 1.00 | — | — | |
| Ethylene SCHEMBL27791707 | 0.95 | — | — | |
| Trimethylammonium SCHEMBL5147181 | 0.93 | TSHR (0.42) | — | |
| SCHEMBL6284787 | 0.79 | — | — | |
| Ethylene SCHEMBL27406283 | 0.75 | CTSK (0.33) | — | |
| SCHEMBL7168798 | 0.74 | — | — | |
| SCHEMBL1566097 | 0.74 | — | — | |
| SCHEMBL7600902 | 0.74 | — | — | |
| SCHEMBL30580550 | 0.74 | TRPA1 (0.47) | — | |
| SCHEMBL63507 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117797736-A | Preparation method of tobacco tar microcapsule | 安徽卓泰创新科技有限公司 | 2024-04-02 | — | — | CN | claimed |
| US-8066880-B2 | Apparatus for denitrifying wastewater | HOOT AEROBIC SYSTEMS, INC. (US) | 2011-11-29 | — | — | US | claimed |
| US-20090211957-A1 | Apparatus For Denitrifying Wastewater | CORMIER, TROY L. | 2009-08-27 | — | — | US | claimed |
| CN-117797736-A | Preparation method of tobacco tar microcapsule | 安徽卓泰创新科技有限公司 | 2024-04-02 | — | — | CN | disclosed |
| US-20130149751-A1 | PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS | CARDIOME INTERNATIONAL SA (CH) | 2013-06-13 | — | — | US | disclosed |
| US-4550184-A | 1,3-DIOXOLANE, FORMALDEHYDE, ORGANIC PEROXIDES WITH A BASE; BY-PRO | TEXACO INC. (US) | 1985-10-29 | — | — | US | disclosed |