⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5424360 | 0.97 | — | — | |
| SCHEMBL9397220 | 0.97 | TSHR (0.45) | — | |
| SCHEMBL8894532 | 0.97 | — | — | |
| SCHEMBL6432169 | 0.90 | — | — | |
| SCHEMBL84155 | 0.82 | — | — | |
| SCHEMBL7870810 | 0.78 | — | — | |
| SCHEMBL9668013 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL9670647 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL9421453 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL18660194 | 0.78 | TSHR (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4499085-A | ADMINISTERED ORALLY OR PARENTERALLY | ONO PHARMACEUTICAL CO., LTD. (JP) | 1985-02-12 | — | — | US | claimed |
| CN-110894184-B | Green and environment-friendly ticagrelor intermediate preparation method | 安徽一帆香料有限公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-110894184-A | Green and environment-friendly ticagrelor intermediate preparation method | 安徽一帆香料有限公司 | 2020-03-20 | — | — | CN | disclosed |
| CN-108366992-A | Proteolysis targets chimera compound and its methods for making and using same | 耶鲁大学 | 2018-08-03 | — | — | CN | disclosed |
| US-6277849-B1 | FOR PROTECTION OF PLANTS AGAINST PHYTOPATHOGENIC MICROORGANISM INFESTATION | SYNGENTA CROP PROTECTION, INC. | 2001-08-21 | — | — | US | disclosed |
| EP-0150461-B1 | SULFUR CONTAINING 6-KETOPROSTAGLANDINES | MERCK PATENT GmbH (DE) | 1988-03-30 | — | — | EP | disclosed |
| US-4680288-A | Sulfur-containing 6-ketoprostaglandins | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-07-14 | — | — | US | disclosed |
| EP-0150461-A2 | Sulfur containing 6-Ketoprostaglandines | MERCK PATENT GmbH (DE) | 1985-08-07 | — | — | EP | disclosed |
| US-4499085-A | ADMINISTERED ORALLY OR PARENTERALLY | ONO PHARMACEUTICAL CO., LTD. (JP) | 1985-02-12 | — | — | US | disclosed |
| US-4499085-A | ADMINISTERED ORALLY OR PARENTERALLY | ONO PHARMACEUTICAL CO., LTD. (JP) | 1985-02-12 | — | — | US | disclosed |
| EP-0084775-A1 | 13-Thia-prostacyclines | MERCK PATENT GmbH (DE) | 1983-08-03 | — | — | EP | disclosed |