⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10783838 | 0.82 | CETP (0.32) | — | |
| SCHEMBL19767 | 0.78 | CPB2 (0.35) | — | |
| SCHEMBL19402370 | 0.72 | — | — | |
| SCHEMBL10814480 | 0.70 | SIRT2 (0.39) | — | |
| SCHEMBL2223307 | 0.70 | MEN1 (0.32) | — | |
| SCHEMBL15031561 | 0.69 | — | — | |
| SCHEMBL18434036 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL18756763 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL17049040 | 0.68 | CPB2 (0.39) | — | |
| SCHEMBL11838266 | 0.67 | SIRT2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | disclosed |