⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13714349 | 0.82 | PDK1 (0.30) | — | |
| SCHEMBL13714225 | 0.79 | — | — | |
| SCHEMBL8485690 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL8485695 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL8485664 | 0.70 | — | — | |
| SCHEMBL8485660 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL8487929 | 0.68 | — | — | |
| Alcohol SCHEMBL8487631 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL8487931 | 0.65 | EPHX1 (0.31) | — | |
| SCHEMBL21338795 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5889012-A | INSECTICIDE, ACARICIDES, FUNGICIDES | HOECHST-SCHERING AGREVO GMBH (DE) | 1999-03-30 | — | — | US | disclosed |
| WO-1996011913-A1 | SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1996-04-25 | — | — | WO | disclosed |