⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4078133 | 0.86 | CYP2D6 (0.73) | — | |
| SCHEMBL4970454 | 0.86 | CYP2D6 (0.73) | — | |
| SCHEMBL298169 | 0.80 | — | — | |
| SCHEMBL29105398 | 0.80 | — | — | |
| SCHEMBL245811 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL2354589 | 0.78 | — | — | |
| SCHEMBL14220491 | 0.76 | ALDH1A1 (0.58) | — | |
| SCHEMBL6389264 | 0.74 | — | — | |
| SCHEMBL11022269 | 0.74 | ALDH1A1 (0.55) | — | |
| SCHEMBL15613743 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3812806-B1 | POLARIZING PLATE AND DISPLAY DEVICE | LG CHEMICAL LTD (KR) | 2024-03-27 | — | — | EP | disclosed |
| CN-109115374-A | A kind of thermometer corrector | 常州市第人民医院 | 2019-01-01 | — | — | CN | disclosed |