⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5752604 | 0.78 | BCL6 (0.33) | — | |
| SCHEMBL14000740 | 0.71 | GLP1R (0.33) | — | |
| SCHEMBL14561499 | 0.70 | — | — | |
| SCHEMBL4826868 | 0.69 | GLP1R (0.42) | — | |
| SCHEMBL14000744 | 0.69 | LMNA (0.30) | — | |
| SCHEMBL4835820 | 0.69 | LMNA (0.30) | — | |
| SCHEMBL4835814 | 0.69 | LMNA (0.30) | — | |
| SCHEMBL14561496 | 0.69 | POLB (0.30) | — | |
| SCHEMBL4835877 | 0.68 | IDH1 (0.33) | — | |
| SCHEMBL4021311 | 0.65 | TRPM8 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060199801-A1 | Heterobicyclic compounds used as fungicides | BASF AKTIENGESELLSCHAFT (DE) | 2006-09-07 | — | — | US | disclosed |
| EP-1620436-A1 | HETEROBICYCLIC COMPOUNDS USED AS FUNGICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004092175-A1 | HETEROBICYCLIC COMPOUNDS USED AS FUNGICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2004-10-28 | — | — | WO | disclosed |