⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL126515 | 0.80 | — | — | |
| SCHEMBL10719364 | 0.60 | ALDH1A1 (0.30) | — | |
| SCHEMBL9091284 | 0.59 | — | — | |
| SCHEMBL10894954 | 0.59 | PTPN1 (0.31) | — | |
| SCHEMBL5281483 | 0.58 | TSHR (0.43) | — | |
| SCHEMBL146063 | 0.57 | GLA (0.37) | — | |
| SCHEMBL125009 | 0.56 | ACHE (0.32) | — | |
| SCHEMBL25529234 | 0.56 | — | — | |
| SCHEMBL10123179 | 0.56 | ALDH1A1 (0.40) | — | |
| SCHEMBL588865 | 0.55 | GLA (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010005692-A2 | INSECTICIDAL CYCLIC CARBONYL AMIDINES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-01-14 | — | — | WO | disclosed |