⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6586464 | 0.72 | — | — | |
| SCHEMBL207415 | 0.65 | — | — | |
| SCHEMBL17104850 | 0.61 | — | — | |
| SCHEMBL719636 | 0.61 | — | — | |
| SCHEMBL8996637 | 0.61 | — | — | |
| SCHEMBL6058703 | 0.61 | ALDH1A1 (0.34) | — | |
| SCHEMBL23065404 | 0.60 | — | — | |
| SCHEMBL5945097 | 0.59 | — | — | |
| SCHEMBL1107781 | 0.59 | — | — | |
| SCHEMBL12230290 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2258690-A1 | Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives | Syngenta Participations AG (CH) | 2010-12-08 | — | — | EP | disclosed |