⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19094737 | 0.67 | — | — | |
| SCHEMBL16632235 | 0.66 | CHRM2 (0.34) | — | |
| SCHEMBL16466504 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL446927 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL467003 | 0.56 | — | — | |
| SCHEMBL28512585 | 0.54 | — | — | |
| SCHEMBL3464607 | 0.51 | — | — | |
| SCHEMBL2911049 | 0.50 | — | — | |
| SCHEMBL4339279 | 0.50 | — | — | |
| SCHEMBL14634227 | 0.50 | — | — |
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-0809632-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996025398-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-08-22 | — | — | WO | disclosed |