⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2632381 | 0.79 | — | — | |
| SCHEMBL21350004 | 0.73 | — | — | |
| SCHEMBL21350008 | 0.72 | — | — | |
| SCHEMBL20976002 | 0.71 | — | — | |
| SCHEMBL21218729 | 0.71 | — | — | |
| SCHEMBL12361696 | 0.69 | — | — | |
| SCHEMBL17431101 | 0.69 | — | — | |
| SCHEMBL308862 | 0.68 | CES2 (0.32) | — | |
| SCHEMBL14534634 | 0.68 | — | — | |
| SCHEMBL22485295 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020067800-A1 | INK COMPOSITION FOR ORGANIC LIGHT EMITTING DEVICE | 주식회사 엘지화학 | 2020-04-02 | — | — | WO | disclosed |