⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9762685 | 1.00 | — | — | |
| SCHEMBL4662117 | 1.00 | — | — | |
| SCHEMBL6175316 | 1.00 | — | — | |
| SCHEMBL6634636 | 1.00 | — | — | |
| SCHEMBL18889064 | 0.83 | — | — | |
| SCHEMBL10084425 | 0.83 | — | — | |
| SCHEMBL20260738 | 0.72 | — | — | |
| SCHEMBL19647629 | 0.70 | CA1 (0.46) | — | |
| SCHEMBL18984256 | 0.69 | — | — | |
| SCHEMBL562973 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3097078-B1 | PYRIDINES AND PYRIMIDINES AND USE THEREOF | PURDUE PHARMA LP (US) | 2022-05-25 | — | — | EP | disclosed |
| EP-3666274-A1 | CARBOXAMIDE DERIVATIVES AND USE THEREOF | Purdue Pharma LP (US) | 2020-06-17 | — | — | EP | disclosed |
| US-9745287-B2 | Pyrimidines and use thereof | PURDUE PHARMA L.P. (US) | 2017-08-29 | — | — | US | disclosed |
| EP-2004669-A1 | AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007118830-A1 | AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2007-10-25 | — | — | WO | disclosed |