⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22563970 | 0.87 | MRGPRX4 (0.39) | — | |
| SCHEMBL22564059 | 0.86 | TAAR1 (0.35) | — | |
| SCHEMBL22564475 | 0.86 | NR1H4 (0.36) | — | |
| SCHEMBL22563878 | 0.86 | NR1H4 (0.33) | — | |
| SCHEMBL20845053 | 0.86 | NR1H4 (0.33) | — | |
| SCHEMBL22564395 | 0.86 | PARP1 (0.36) | — | |
| SCHEMBL22564348 | 0.85 | NR1H4 (0.32) | — | |
| SCHEMBL22564171 | 0.85 | ALDH1A1 (0.39) | — | |
| SCHEMBL22564263 | 0.84 | KDM4E (0.30) | — | |
| SCHEMBL22564017 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2841429-B1 | TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2020-10-21 | — | — | EP | disclosed |