⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5214024 | 0.74 | NNMT (0.32) | — | |
| SCHEMBL3393718 | 0.74 | — | — | |
| SCHEMBL17007172 | 0.73 | — | — | |
| SCHEMBL28725750 | 0.69 | — | — | |
| SCHEMBL17028455 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL22836868 | 0.67 | — | — | |
| SCHEMBL264991 | 0.67 | — | — | |
| SCHEMBL11728802 | 0.64 | — | — | |
| SCHEMBL403252 | 0.64 | — | — | |
| SCHEMBL5257701 | 0.63 | KDM4E (0.48) | — |
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-2001017965-A2 | CYANOPIPERIDINES AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-03-15 | — | — | WO | disclosed |