⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24356469 | 0.93 | CASP3 (0.31) | — | |
| SCHEMBL24972619 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL24356709 | 0.91 | — | — | |
| SCHEMBL24887969 | 0.91 | ALDH1A1 (0.31) | — | |
| SCHEMBL24949582 | 0.90 | AHR (0.32) | — | |
| SCHEMBL24356675 | 0.89 | — | — | |
| SCHEMBL24356807 | 0.89 | — | — | |
| SCHEMBL24356824 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL24356478 | 0.88 | HCRTR1 (0.31) | — | |
| SCHEMBL24887820 | 0.87 | — | — |
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-2023003403-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2023-01-26 | — | — | WO | disclosed |