⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18831730 | 0.81 | PTPN1 (0.34) | — | |
| Methane SCHEMBL23056763 | 0.80 | PTPN1 (0.33) | — | |
| SCHEMBL20205913 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL20205810 | 0.78 | LMNA (0.34) | — | |
| SCHEMBL20205507 | 0.77 | MTNR1A (0.35) | — | |
| SCHEMBL18831287 | 0.76 | CD38 (0.32) | — | |
| SCHEMBL18831572 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL20205535 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL22563875 | 0.74 | SLC22A12 (0.32) | — | |
| SCHEMBL20205677 | 0.73 | NPC1 (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-2018097318-A1 | TETRAZOLINONE COMPOUNDS AND ITS USE AS PEST CONTROL AGENTS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2018-05-31 | — | — | WO | disclosed |