⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8490025 | 0.70 | IRAK4 (0.45) | — | |
| SCHEMBL8650466 | 0.70 | JAK2 (0.32) | — | |
| SCHEMBL13064098 | 0.67 | SELE (0.35) | — | |
| SCHEMBL8490387 | 0.67 | — | — | |
| SCHEMBL8525076 | 0.64 | MEN1 (0.40) | — | |
| SCHEMBL8525079 | 0.64 | MEN1 (0.40) | — | |
| SCHEMBL14275566 | 0.64 | AKT1 (0.52) | — | |
| SCHEMBL8668672 | 0.63 | DHFR (0.36) | — | |
| SCHEMBL3641399 | 0.62 | SELE (0.40) | — | |
| SCHEMBL8718664 | 0.60 | SELE (0.32) | — |
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-1999031072-A1 | CYCLOHEXYLAMINE ARTHROPODICIDES AND FUNGICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-06-24 | — | — | WO | disclosed |