⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8537234 | 1.00 | — | — | |
| SCHEMBL5075963 | 0.64 | — | — | |
| SCHEMBL28167380 | 0.64 | — | — | |
| SCHEMBL27997655 | 0.64 | — | — | |
| SCHEMBL8744844 | 0.64 | — | — | |
| SCHEMBL5815686 | 0.62 | ALDH1A1 (0.47) | — | |
| SCHEMBL262843 | 0.61 | — | — | |
| SCHEMBL262844 | 0.61 | — | — | |
| SCHEMBL21551951 | 0.61 | — | — | |
| SCHEMBL10701338 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0865424-A1 | PESTICIDES | Novartis AG (CH) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997020809-A1 | PESTICIDES | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | disclosed |