⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24601564 | 0.92 | — | — | |
| SCHEMBL24601585 | 0.89 | RXRB (0.36) | — | |
| SCHEMBL24601670 | 0.89 | NR3C1 (0.33) | — | |
| SCHEMBL24601671 | 0.88 | ICMT (0.39) | — | |
| SCHEMBL24601665 | 0.88 | SCD (0.35) | — | |
| SCHEMBL24601763 | 0.87 | DHODH (0.33) | — | |
| SCHEMBL24601577 | 0.87 | SERPINE1 (0.35) | — | |
| SCHEMBL24601832 | 0.86 | RXRB (0.36) | — | |
| SCHEMBL24601742 | 0.86 | DNMT1 (0.34) | — | |
| SCHEMBL24601558 | 0.85 | ICMT (0.35) | — |
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-20220213113-A1 | NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2022-07-07 | — | — | US | disclosed |