⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18454688 | 0.78 | DRD2 (0.33) | — | |
| SCHEMBL1101260 | 0.78 | DRD2 (0.33) | — | |
| SCHEMBL7908323 | 0.77 | — | — | |
| SCHEMBL7761622 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL26242229 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL18689501 | 0.75 | — | — | |
| SCHEMBL18488791 | 0.74 | JAK2 (0.36) | — | |
| SCHEMBL18488794 | 0.74 | JAK2 (0.36) | — | |
| SCHEMBL24535449 | 0.74 | CYP1A2 (0.44) | — | |
| SCHEMBL4093884 | 0.74 | SIGMAR1 (0.31) | — |
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 |