⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20936061 | 0.96 | KDM4E (0.30) | — | |
| SCHEMBL20935974 | 0.92 | — | — | |
| SCHEMBL20935568 | 0.92 | TSPO (0.32) | — | |
| SCHEMBL20832301 | 0.91 | TSPO (0.30) | — | |
| SCHEMBL20935578 | 0.90 | KDM4E (0.30) | — | |
| SCHEMBL20935654 | 0.90 | — | — | |
| SCHEMBL20935968 | 0.90 | — | — | |
| SCHEMBL20935669 | 0.90 | ALOX5 (0.31) | — | |
| SCHEMBL20935762 | 0.90 | TSPO (0.31) | — | |
| SCHEMBL20936040 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10961230-B2 | Materials for organic electroluminescent devices | MERCK PATENT GMBH (DE) | 2021-03-30 | — | — | US | disclosed |
| US-20190119260-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2019-04-25 | — | — | US | disclosed |