⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16383563 | 1.00 | — | — | |
| SCHEMBL20124299 | 0.78 | — | — | |
| SCHEMBL20124282 | 0.74 | — | — | |
| SCHEMBL20366894 | 0.74 | — | — | |
| SCHEMBL19721359 | 0.67 | — | — | |
| SCHEMBL9912683 | 0.64 | — | — | |
| SCHEMBL19806825 | 0.62 | — | — | |
| SCHEMBL19658343 | 0.62 | CYP1A2 (0.32) | — | |
| SCHEMBL19041821 | 0.59 | — | — | |
| SCHEMBL15395879 | 0.59 | — | — |
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-3823958-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2023-08-23 | — | — | EP | disclosed |