⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4902464 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL7670300 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL7525152 | 0.76 | — | — | |
| SCHEMBL27368364 | 0.75 | — | — | |
| SCHEMBL27914527 | 0.75 | — | — | |
| SCHEMBL13452824 | 0.69 | — | — | |
| SCHEMBL2972549 | 0.69 | — | — | |
| SCHEMBL5944449 | 0.69 | — | — | |
| SCHEMBL3127254 | 0.69 | — | — | |
| SCHEMBL7678801 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1517907-B1 | AZABICYCLO-OCTANE AND NONANE DERIVATIVES WITH DDP-IV INHIBITING ACTIVITY | SANOFI AVENTIS (FR) | 2011-01-12 | — | — | EP | disclosed |
| EP-0217372-A2 | Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-04-08 | — | — | EP | disclosed |