⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20502434 | 0.93 | PLA2G2A (0.30) | — | |
| SCHEMBL29643183 | 0.93 | PLA2G2A (0.30) | — | |
| SCHEMBL21999510 | 0.88 | — | — | |
| SCHEMBL17484022 | 0.87 | — | — | |
| SCHEMBL24428099 | 0.87 | — | — | |
| SCHEMBL22000240 | 0.87 | — | — | |
| SCHEMBL25725362 | 0.85 | — | — | |
| SCHEMBL24255709 | 0.85 | MEN1 (0.31) | — | |
| SCHEMBL25871973 | 0.84 | PDK2 (0.35) | — | |
| SCHEMBL24428146 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200152883-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-05-14 | — | — | US | disclosed |