⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23050067 | 0.87 | — | — | |
| SCHEMBL24947824 | 0.70 | — | — | |
| SCHEMBL23049964 | 0.67 | — | — | |
| SCHEMBL20146629 | 0.66 | OPRM1 (0.34) | — | |
| SCHEMBL23049935 | 0.58 | OPRM1 (0.30) | — | |
| SCHEMBL18436534 | 0.56 | GSK3B (0.32) | — | |
| SCHEMBL24633233 | 0.56 | BACE1 (0.33) | — | |
| SCHEMBL8873990 | 0.53 | MMP2 (0.47) | — | |
| SCHEMBL25961944 | 0.53 | — | — | |
| SCHEMBL14616009 | 0.53 | — | — |
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-3577101-B1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2021-03-03 | — | — | EP | disclosed |