⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22011582 | 0.94 | MEN1 (0.32) | — | |
| SCHEMBL19986147 | 0.90 | TDP1 (0.30) | — | |
| SCHEMBL24171787 | 0.87 | MEN1 (0.32) | — | |
| SCHEMBL22011583 | 0.87 | SIRT2 (0.30) | — | |
| SCHEMBL22011560 | 0.86 | MAPT (0.32) | — | |
| SCHEMBL22011566 | 0.85 | MAPT (0.34) | — | |
| SCHEMBL24171366 | 0.85 | — | — | |
| SCHEMBL20101455 | 0.85 | CYP1A1 (0.30) | — | |
| SCHEMBL22011564 | 0.85 | MAPT (0.33) | — | |
| SCHEMBL22012995 | 0.84 | L3MBTL1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3880682-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2023-06-14 | — | — | EP | disclosed |
| WO-2020099307-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-05-22 | — | — | WO | disclosed |