⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27528133 | 0.70 | — | — | |
| SCHEMBL24856795 | 0.70 | — | — | |
| SCHEMBL18373133 | 0.69 | — | — | |
| SCHEMBL5685323 | 0.69 | — | — | |
| SCHEMBL27655644 | 0.67 | TRPA1 (0.33) | — | |
| SCHEMBL28045324 | 0.67 | TRPA1 (0.33) | — | |
| SCHEMBL21944210 | 0.65 | — | — | |
| SCHEMBL27359724 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28766022 | 0.63 | — | — | |
| Iodide SCHEMBL29802107 | 0.63 | — | — |
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-3127988-B1 | ORGANIC LIGHT-EMITTING DEVICE | LG CHEMICAL LTD (KR) | 2018-03-14 | — | — | EP | disclosed |