⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20616076 | 0.98 | — | — | |
| SCHEMBL20616084 | 0.98 | — | — | |
| SCHEMBL16773084 | 0.97 | — | — | |
| SCHEMBL22959512 | 0.96 | — | — | |
| SCHEMBL15752561 | 0.96 | PDK2 (0.30) | — | |
| SCHEMBL15752363 | 0.96 | PDK2 (0.30) | — | |
| SCHEMBL17231170 | 0.96 | PDK2 (0.30) | — | |
| SCHEMBL17231167 | 0.96 | PDK2 (0.30) | — | |
| SCHEMBL20616098 | 0.96 | — | — | |
| SCHEMBL15582796 | 0.95 | — | — |
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-20210040038-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME | LG CHEM, LTD. (KR) | 2021-02-11 | — | — | US | disclosed |
| WO-2019004617-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2019-01-03 | — | — | WO | disclosed |