⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7889692 | 0.82 | ROCK2 (0.35) | — | |
| SCHEMBL10418842 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL9730274 | 0.80 | BRD4 (0.31) | — | |
| SCHEMBL8582752 | 0.74 | ESR1 (0.40) | — | |
| SCHEMBL10520236 | 0.74 | MAPT (0.33) | — | |
| SCHEMBL10417426 | 0.72 | PPOX (0.43) | — | |
| SCHEMBL10623749 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL9730449 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL1943210 | 0.71 | BRD4 (0.35) | — | |
| SCHEMBL10420155 | 0.71 | ALDH1A1 (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5136868-A | HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF | FMC CORPORATION (US) | 1992-08-11 | — | — | US | disclosed |
| US-4868321-A | FOR HERBICIDES | FMC CORPORATION (US) | 1989-09-19 | — | — | US | disclosed |
| EP-0252982-A4 | HERBICIDAL 1-ARYL-4-SUSTITUTTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. | FMC CORP (US) | 1988-08-17 | — | — | EP | disclosed |
| EP-0252982-A1 | HERBICIDAL 1-ARYL-4-SUSTITUTTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF | FMC Corporation (US) | 1988-01-20 | — | — | EP | disclosed |
| WO-1987003873-A1 | HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF | FMC CORPORATION (US) | 1987-07-02 | — | — | WO | disclosed |