⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28127613 | 0.78 | HCAR2 (0.57) | — | |
| SCHEMBL7136619 | 0.78 | HCAR2 (0.42) | — | |
| SCHEMBL2410094 | 0.76 | — | — | |
| SCHEMBL4291469 | 0.76 | — | — | |
| SCHEMBL128754 | 0.75 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL9557413 | 0.75 | TSHR (0.60) | — | |
| Acrylic Acid Ethyl Ester SCHEMBL8159679 | 0.75 | TSHR (0.60) | — | |
| Acrylic Acid Ethyl Ester SCHEMBL3180 | 0.75 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL27630706 | 0.74 | TSHR (0.54) | — | |
| Acrylic Acid Ethyl Ester SCHEMBL28173822 | 0.74 | TSHR (0.54) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090239839-A1 | RECEPTOR ANTAGONIST | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-24 | — | — | US | disclosed |
| US-20070129348-A1 | Receptor antagonist | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-06-07 | — | — | US | disclosed |
| EP-1623710-A1 | RECEPTOR ANTAGONIST | Takeda Pharmaceutical Company Limited (JP) | 2006-02-08 | — | — | EP | disclosed |
| EP-1379533-A2 | NOVEL CYCLO AZAPHOSPHA HYDROCARBONS | Leo Pharma A/S (DK) | 2004-01-14 | — | — | EP | disclosed |
| US-6605742-B2 | Rheumatic diseases; antiarthritic agents; antitumor agents | LEO PHARMA A/S (DK) | 2003-08-12 | — | — | US | disclosed |
| US-20020177706-A1 | Novel cyclo azaphospha hydrocarbons | LEO PHARMA A/S (DK) | 2002-11-28 | — | — | US | disclosed |
| WO-2002083696-A2 | NOVEL CYCLO AZAPHOSPHA HYDROCARBONS | LEO PHARMA A/S (DK) | 2002-10-24 | — | — | WO | disclosed |