⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10305 | 0.85 | — | — | |
| SCHEMBL1877540 | 0.81 | — | — | |
| SCHEMBL597073 | 0.78 | — | — | |
| 2-Pyrrolidone SCHEMBL2389 | 0.73 | — | — | |
| 2-Pyrrolidone SCHEMBL2167448 | 0.73 | OR51E2 (1.00) | — | |
| 2-Pyrrolidone SCHEMBL9304498 | 0.73 | OR51E2 (1.00) | — | |
| 2-Pyrrolidone SCHEMBL4299593 | 0.73 | — | — | |
| 2-Pyrrolidone SCHEMBL27827832 | 0.73 | — | — | |
| SCHEMBL596754 | 0.72 | — | — | |
| 2-Pyrrolidone SCHEMBL11328078 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7947690-B2 | Insulin secretagogue and hypoglycemic agent; pyrimidine derivatives condensed with a non-aromatic ring selected from dihydrothiophene, dihydrofuran, cycloalkane moiety; 1-[2-(4-chloro-2,5-difluorophenyl)-6,6-dioxido-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-4-(3-hydroxypropyl)piperidin-4-ol for example | ASTELLAS PHARMA INC. (JP) | 2011-05-24 | — | — | US | disclosed |
| US-20080070896-A1 | Pyrimidine Derivative Condensed with a Non-Aromatic Ring | ASTELLAS PHARMA INC. (JP) | 2008-03-20 | — | — | US | disclosed |
| EP-1803710-A1 | PYRIMIDINE DERIVATIVE CONDENSED WITH NON-AROMATIC RING | Astellas Pharma Inc. (JP) | 2007-07-04 | — | — | EP | disclosed |