⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24428101 | 0.96 | — | — | |
| SCHEMBL21999613 | 0.95 | PLA2G2A (0.30) | — | |
| SCHEMBL21999149 | 0.94 | PLA2G2A (0.31) | — | |
| SCHEMBL21999321 | 0.94 | — | — | |
| SCHEMBL21999148 | 0.93 | — | — | |
| SCHEMBL21999150 | 0.93 | PLA2G2A (0.31) | — | |
| SCHEMBL24428100 | 0.92 | PLA2G2A (0.30) | — | |
| SCHEMBL21999191 | 0.92 | — | — | |
| SCHEMBL21999322 | 0.92 | — | — | |
| SCHEMBL17484004 | 0.91 | — | — |
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-3596066-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-05-18 | — | — | EP | disclosed |
| US-20200152883-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-05-14 | — | — | US | disclosed |