⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9337168 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL9620152 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL31139538 | 0.70 | MEN1 (0.37) | — | |
| SCHEMBL4947252 | 0.67 | — | — | |
| SCHEMBL7485753 | 0.67 | — | — | |
| SCHEMBL19086522 | 0.63 | — | — | |
| SCHEMBL9493937 | 0.62 | — | — | |
| SCHEMBL27621996 | 0.59 | CYP3A4 (0.35) | — | |
| SCHEMBL9505377 | 0.59 | CYP3A4 (0.35) | — | |
| SCHEMBL16704296 | 0.58 | CYP3A4 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5116861-A | Treatment of Hypertension and Angina Pectoris | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-05-26 | — | — | US | disclosed |
| EP-0437527-A1 | NUCLEOSIDE DERIVATIVES | NYCOMED AS (NO) | 1991-07-24 | — | — | EP | disclosed |
| WO-1990004603-A1 | NUCLEOSIDE DERIVATIVES | NYCOMED AS (NO) | 1990-05-03 | — | — | WO | disclosed |
| EP-0366171-A1 | Nucleoside derivatives | NYCOMED AS (NO) | 1990-05-02 | — | — | EP | disclosed |
| EP-0273659-A1 | Azaspiro compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1988-07-06 | — | — | EP | disclosed |