⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7891314 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL7893266 | 0.88 | APLNR (0.33) | — | |
| SCHEMBL7893338 | 0.88 | PPOX (0.36) | — | |
| SCHEMBL8406950 | 0.86 | — | — | |
| SCHEMBL7881878 | 0.86 | PPOX (0.37) | — | |
| SCHEMBL7888664 | 0.86 | — | — | |
| SCHEMBL7893301 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL7891313 | 0.83 | BCAT2 (0.33) | — | |
| SCHEMBL8547692 | 0.83 | BCAT1 (0.33) | — | |
| SCHEMBL7881786 | 0.82 | CLK1 (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 |
|---|---|---|---|---|---|---|---|
| US-6174839-B1 | AS HERBICIDE | NIHON BAYER AGROCHEM K.K. (JP) | 2001-01-16 | — | — | US | disclosed |
| US-5935907-A | HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1999-08-10 | — | — | US | disclosed |
| EP-0869123-A2 | Phenylacetylene derivatives | NIHON BAYER AGROCHEM K.K. (JP) | 1998-10-07 | — | — | EP | disclosed |