⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24199530 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL20205689 | 0.88 | — | — | |
| SCHEMBL24199549 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL23678328 | 0.85 | — | — | |
| SCHEMBL24199474 | 0.82 | — | — | |
| SCHEMBL23678259 | 0.81 | — | — | |
| SCHEMBL23678477 | 0.79 | — | — | |
| SCHEMBL20205678 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL23678250 | 0.77 | — | — | |
| SCHEMBL17191049 | 0.75 | CYP1A2 (0.31) | — |
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 |