⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18987544 | 1.00 | — | — | |
| SCHEMBL7764396 | 1.00 | — | — | |
| SCHEMBL18987543 | 1.00 | — | — | |
| SCHEMBL18987545 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL18987692 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL18987691 | 0.98 | — | — | |
| SCHEMBL10233655 | 0.87 | PDE2A (0.31) | — | |
| SCHEMBL20917640 | 0.87 | — | — | |
| SCHEMBL2426993 | 0.87 | — | — | |
| SCHEMBL7766138 | 0.78 | SHBG (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1100785-A1 | SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES | Aventis CropScience GmbH (DE) | 2001-05-23 | — | — | EP | disclosed |
| US-6197729-B1 | COMBATING PEST WHICH COMPRISES APPLYING TO PEST OR ITS LOCUS PESTICIDAL CYCLOHEXYLAMINOPYRIMIDINNE COMPOUND | HOECHST SCHERING AGREVO (DE) | 2001-03-06 | — | — | US | disclosed |
| WO-2000007998-A1 | SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES | AVENTIS CROPSCIENCE GMBH (DE) | 2000-02-17 | — | — | WO | disclosed |