⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25689783 | 0.85 | — | — | |
| SCHEMBL23341893 | 0.78 | PDCD1 (0.33) | — | |
| SCHEMBL23073575 | 0.76 | PDCD1 (0.36) | — | |
| SCHEMBL23341150 | 0.72 | PDCD1 (0.35) | — | |
| SCHEMBL21484976 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL11978246 | 0.69 | GPR84 (0.37) | — | |
| SCHEMBL20962193 | 0.69 | PDCD1 (0.42) | — | |
| SCHEMBL25056865 | 0.68 | ESR2 (0.36) | — | |
| SCHEMBL27898117 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL29511656 | 0.64 | ACHE (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4122937-A1 | POLYCYCLIC AROMATIC COMPOUND AND ORGANOELECTROLUMINESCENT DEVICE USING SAME | SFC Co., Ltd. (KR) | 2023-01-25 | — | — | EP | disclosed |