⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8610983 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL8611683 | 0.67 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL5536791 | 0.61 | ACHE (0.33) | — | |
| SCHEMBL2094249 | 0.60 | — | — | |
| SCHEMBL8071753 | 0.60 | TRPM5 (0.39) | — | |
| SCHEMBL1892124 | 0.58 | PARP1 (0.31) | — | |
| SCHEMBL610136 | 0.58 | CA12 (0.33) | — | |
| SCHEMBL17181375 | 0.58 | MIF (0.38) | — | |
| SCHEMBL10700948 | 0.57 | PARP1 (0.30) | — | |
| SCHEMBL855614 | 0.57 | PARP1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0835242-A1 | THIOAMIDES S-OXIDES FOR USE AS PESTICIDES | Novartis AG (CH) | 1998-04-15 | — | — | EP | disclosed |
| WO-1997000859-A1 | THIOAMIDES S-OXIDES FOR USE AS PESTICIDES | NOVARTIS AG (CH) | 1997-01-09 | — | — | WO | disclosed |