⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28488307 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL8224489 | 0.84 | SPHK1 (0.37) | — | |
| SCHEMBL8772 | 0.82 | MAPK1 (0.42) | — | |
| SCHEMBL32682837 | 0.80 | SPHK1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL28041967 | 0.79 | MAPK1 (0.40) | — | |
| SCHEMBL21693581 | 0.79 | TSHR (0.57) | — | |
| Propylene Glycol SCHEMBL8336557 | 0.79 | TDP1 (0.50) | — | |
| Ethylene Glycol SCHEMBL3717642 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL2099578 | 0.78 | OPRM1 (0.36) | — | |
| SCHEMBL2167547 | 0.78 | — | — |
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-108299374-A | A kind of flaorination process of esters of dioxolanes containing 1,3- or 1,3- dioxane esters perfluorochemicals | 博容新材料（深圳）有限公司 | 2018-07-20 | — | — | CN | claimed |
| EP-1939165-B1 | POLYVINYL ETHER COMPOUND | IDEMITSU KOSAN CO (JP) | 2012-06-13 | — | — | EP | disclosed |
| EP-2126029-A1 | LIQUID COMPOSITION SYSTEM HAVING A VISUAL INDICATION CHANGE | The Procter & Gamble (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008117235-A1 | LIQUID COMPOSITION SYSTEM HAVING A VISUAL INDICATION CHANGE | THE PROCTER & GAMBLE COMPANY (US) | 2008-10-02 | — | — | WO | disclosed |
| EP-1939165-A1 | POLYVINYL ETHER COMPOUND | IDEMITSU KOSAN CO., LTD. (JP) | 2008-07-02 | — | — | EP | disclosed |
| US-20080108850-A1 | Addition-condensation copolymers containing polyoxyethylene glycol; high viscosity; used as lubricating oil for compression refrigerator | IDEMITSU KOSAN CO., LTD. (JP) | 2008-05-08 | — | — | US | disclosed |