⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28054949 | 0.62 | — | — | |
| SCHEMBL28054969 | 0.62 | — | — | |
| SCHEMBL22559992 | 0.54 | FUCA1 (0.31) | — | |
| SCHEMBL27558447 | 0.48 | TSHR (0.33) | — | |
| SCHEMBL22734884 | 0.45 | — | — | |
| SCHEMBL8161054 | 0.44 | TSHR (0.67) | — | |
| Mebicar SCHEMBL15685069 | 0.43 | ADRA2C (1.00) | — | |
| SCHEMBL11879066 | 0.43 | — | — | |
| Ethane SCHEMBL6498517 | 0.43 | TSHR (0.80) | — | |
| Sulfuric Acid SCHEMBL27996665 | 0.43 | CA5A (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105517995-A | Six-membered C-N bonded aryl sulfide and aryl sulfoxide derivatives as pesticides | BAYER CROPSCIENCE AG | 2016-04-20 | — | — | CN | disclosed |