⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24601762 | 0.91 | PRMT1 (0.33) | — | |
| SCHEMBL24601765 | 0.88 | RXRA (0.31) | — | |
| SCHEMBL24601652 | 0.84 | RXRA (0.30) | — | |
| SCHEMBL24601470 | 0.84 | RXRA (0.33) | — | |
| SCHEMBL24601768 | 0.83 | CYP11B1 (0.31) | — | |
| SCHEMBL24601421 | 0.83 | RXRA (0.32) | — | |
| SCHEMBL24601767 | 0.81 | CYP3A4 (0.31) | — | |
| SCHEMBL24601433 | 0.81 | KIF11 (0.36) | — | |
| SCHEMBL24601436 | 0.81 | KIF11 (0.33) | — | |
| SCHEMBL24601651 | 0.81 | PRMT1 (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 |