⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5883539 | 0.89 | PTPN7 (0.50) | — | |
| SCHEMBL9578666 | 0.88 | TSHR (0.41) | — | |
| SCHEMBL19948787 | 0.87 | PTPN7 (0.48) | — | |
| SCHEMBL27216012 | 0.86 | PTPN7 (0.41) | — | |
| SCHEMBL55033 | 0.84 | TSHR (0.53) | — | |
| SCHEMBL25196190 | 0.83 | PTPN7 (0.45) | — | |
| SCHEMBL19462193 | 0.83 | PTPN7 (0.45) | — | |
| SCHEMBL10866403 | 0.83 | PTPN7 (0.45) | — | |
| SCHEMBL3846900 | 0.82 | — | — | |
| SCHEMBL3849656 | 0.81 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107074757-B | The manufacturing method of trifluoromethyl alkylthio chemical combination object | 组合化学工业株式会社 | 2019-05-03 | — | — | CN | disclosed |
| CN-107074757-A | The manufacture method of trifluoromethyl alkylthio compound | 组合化学工业株式会社 | 2017-08-18 | — | — | CN | disclosed |
| WO-2016076183-A1 | METHOD FOR PRODUCING TRIFLUOROMETHYL THIOALKYL COMPOUND | イハラケミカル工業株式会社 | 2016-05-19 | — | — | WO | disclosed |
| US-7091357-B2 | Chain-modified pyridino-N substituted nicotine compounds for use in the treatment of CNS pathologies | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2006-08-15 | — | — | US | disclosed |
| US-20030225142-A1 | Chain-modified pyridino-N substituted nicotine compounds for use in the treatment of CNS pathologies | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION | 2003-12-04 | — | — | US | disclosed |
| US-5620677-A | CONTRAST AGENTS IN DIAGNOSTIC RADIOLOGY | STERLING WINTHROP INC. (US) | 1997-04-15 | — | — | US | disclosed |
| US-5607660-A | X-RAY CONTRAST AGENTS FOR INTESTINES | STERLING WINTHROP INC. (US) | 1997-03-04 | — | — | US | disclosed |
| US-5531979-A | X-RAY CONTRAST COMPOSITION | STERLING WINTHROP INC. (US) | 1996-07-02 | — | — | US | disclosed |
| EP-0609586-A2 | Compositions of iodophenoxy alkanes and iodophenyl ethers for visualization of the gastrointestinal tract | NYCOMED IMAGING AS (NO) | 1994-08-10 | — | — | EP | disclosed |
| EP-0609587-A2 | Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract | NYCOMED IMAGING AS (NO) | 1994-08-10 | — | — | EP | disclosed |
| US-5326553-A | Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract | STERLING WINTHROP INC. (US) | 1994-07-05 | — | — | US | disclosed |
| US-5316755-A | AQUEOUS X-RAY CONTRAST COMPOSITION FOR ORAL OR RECTAL ADMINISTRATION | STERLING WINTHROP INC. (US) | 1994-05-31 | — | — | US | disclosed |