⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13596176 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL13227497 | 0.69 | — | — | |
| SCHEMBL1812456 | 0.67 | — | — | |
| SCHEMBL14564593 | 0.64 | — | — | |
| SCHEMBL18462081 | 0.64 | — | — | |
| SCHEMBL20464763 | 0.64 | GAA (0.32) | — | |
| SCHEMBL531292 | 0.62 | CCR2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL4555321 | 0.62 | — | — | |
| SCHEMBL14008389 | 0.60 | MEN1 (0.36) | — | |
| SCHEMBL18545682 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4016663-A1 | ELECTRODE MATERIAL FOR THE PRINTING OF POLYMER BATTERIES | Evonik Operations GmbH (DE) | 2022-06-22 | — | — | EP | disclosed |