⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30966658 | 0.66 | — | — | |
| SCHEMBL27641363 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL28054968 | 0.62 | — | — | |
| SCHEMBL28054970 | 0.57 | — | — | |
| SCHEMBL27558447 | 0.55 | TSHR (0.33) | — | |
| SCHEMBL8540713 | 0.51 | — | — | |
| Benzene SCHEMBL2887752 | 0.48 | TSHR (0.73) | — | |
| Benzene SCHEMBL9118283 | 0.47 | CA5A (0.67) | — | |
| Benzene SCHEMBL28815094 | 0.47 | CA5A (0.67) | — | |
| Benzene SCHEMBL10354042 | 0.47 | CA5A (0.67) | — |
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 |