⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL737556 | 0.89 | CA1 (0.31) | — | |
| SCHEMBL736773 | 0.78 | CA1 (0.38) | — | |
| SCHEMBL736586 | 0.70 | HDAC7 (0.34) | — | |
| SCHEMBL1366208 | 0.63 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL27556568 | 0.63 | SOAT1 (0.33) | — | |
| SCHEMBL3782518 | 0.63 | SOAT1 (0.44) | — | |
| SCHEMBL10325796 | 0.62 | CYP3A4 (0.37) | — | |
| SCHEMBL21405308 | 0.62 | ALDH1A1 (0.37) | — | |
| SCHEMBL19492 | 0.61 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL28373691 | 0.61 | ALDH1A1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1786814-A1 | BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS | Actelion Pharmaceuticals Ltd. (CH) | 2007-05-23 | — | — | EP | disclosed |
| WO-2006021402-A1 | BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD. (CH) | 2006-03-02 | — | — | WO | disclosed |