⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25127940 | 0.84 | RXRA (0.41) | — | |
| SCHEMBL23567641 | 0.81 | RXRA (0.33) | — | |
| SCHEMBL23567867 | 0.79 | — | — | |
| SCHEMBL23567851 | 0.78 | SIGMAR1 (0.30) | — | |
| SCHEMBL22600300 | 0.78 | RXRA (0.39) | — | |
| SCHEMBL22202458 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL25128050 | 0.76 | RXRA (0.38) | — | |
| SCHEMBL23567614 | 0.72 | RXRA (0.35) | — | |
| SCHEMBL25128013 | 0.70 | RXRA (0.42) | — | |
| SCHEMBL23567642 | 0.70 | RXRA (0.41) | — |
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-20230104248-A1 | POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | UDC IRELAND LIMITED (IE) | 2023-04-06 | — | — | US | disclosed |
| WO-2021122740-A1 | POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-06-24 | — | — | WO | disclosed |