⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12024 | 0.84 | LIPE (0.35) | — | |
| SCHEMBL12337 | 0.78 | MEN1 (0.35) | — | |
| SCHEMBL12193 | 0.77 | MCOLN3 (0.40) | — | |
| SCHEMBL12346 | 0.75 | POLB (0.32) | — | |
| SCHEMBL12194 | 0.74 | LIPE (0.38) | — | |
| SCHEMBL12701946 | 0.74 | LIPE (0.48) | — | |
| SCHEMBL10339 | 0.74 | LIPE (0.48) | — | |
| SCHEMBL10340 | 0.74 | LIPE (0.48) | — | |
| SCHEMBL12246 | 0.64 | LIPE (0.34) | — | |
| SCHEMBL12244 | 0.64 | LIPE (0.34) | — |
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 |