⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9936708 | 0.74 | HDAC3 (0.34) | — | |
| SCHEMBL697212 | 0.73 | POLB (0.30) | — | |
| SCHEMBL3408777 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL1979984 | 0.63 | TSHR (0.43) | — | |
| SCHEMBL16213506 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL9936822 | 0.63 | — | — | |
| SCHEMBL7682704 | 0.61 | SCN8A (0.36) | — | |
| SCHEMBL3665376 | 0.60 | TEAD1 (0.32) | — | |
| SCHEMBL16213560 | 0.60 | NPC1 (0.34) | — | |
| SCHEMBL5320829 | 0.58 | SCN8A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651219-A2 | FUNGICIDAL AZOCYCLIC AMIDES | E.I. Du Pont De Nemours And Company (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012082580-A2 | FUNGICIDAL AZOCYCLIC AMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-06-21 | — | — | WO | disclosed |