⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15821973 | 0.89 | PPOX (0.30) | — | |
| SCHEMBL15822187 | 0.89 | ADRA1A (0.30) | — | |
| SCHEMBL18722727 | 0.87 | — | — | |
| SCHEMBL15839555 | 0.86 | HTR2A (0.30) | — | |
| SCHEMBL15822524 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL15821756 | 0.85 | ADRA1A (0.31) | — | |
| SCHEMBL15839587 | 0.79 | KMT2A (0.34) | — | |
| SCHEMBL17382671 | 0.79 | ADRA1A (0.33) | — | |
| SCHEMBL15823014 | 0.78 | HTR1A (0.34) | — | |
| SCHEMBL16272419 | 0.77 | HTR1A (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-2014096289-A2 | HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREOF, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT | SYNGENTA LIMITED (GB) | 2014-06-26 | — | — | WO | disclosed |