⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8308742 | 0.71 | POLB (0.35) | — | |
| SCHEMBL8303524 | 0.69 | — | — | |
| SCHEMBL8307860 | 0.69 | HCAR2 (0.33) | — | |
| SCHEMBL8687039 | 0.68 | BCHE (0.41) | — | |
| SCHEMBL8687309 | 0.68 | SCN9A (0.36) | — | |
| SCHEMBL8303598 | 0.68 | — | — | |
| SCHEMBL5906067 | 0.67 | IDO1 (0.41) | — | |
| SCHEMBL8307690 | 0.67 | COMT (0.36) | — | |
| SCHEMBL8303510 | 0.66 | CHRNA4 (0.34) | — | |
| SCHEMBL8600512 | 0.66 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0695748-B1 | Tetrazolinone herbicides | BAYER AGROCHEM KK (JP) | 1999-05-06 | — | — | EP | disclosed |
| US-5589439-A | HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1996-12-31 | — | — | US | disclosed |
| EP-0695748-A1 | Tetrazolinone herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1996-02-07 | — | — | EP | disclosed |