⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8692127 | 1.00 | — | — | |
| SCHEMBL4655224 | 0.87 | — | — | |
| SCHEMBL9782928 | 0.78 | — | — | |
| SCHEMBL4655189 | 0.77 | MEN1 (0.35) | — | |
| SCHEMBL8692624 | 0.76 | — | — | |
| SCHEMBL8692633 | 0.76 | — | — | |
| SCHEMBL8708681 | 0.76 | SHBG (0.33) | — | |
| SCHEMBL6652581 | 0.76 | — | — | |
| SCHEMBL8692629 | 0.76 | — | — | |
| SCHEMBL9782925 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5852023-A | Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for their preparation, and their use as pesticides and fungicides | HOECHST SCHERING AGREVO GMBH (DE) | 1998-12-22 | — | — | US | disclosed |