⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28868936 | 0.93 | — | — | |
| SCHEMBL8010231 | 0.69 | — | — | |
| SCHEMBL183038 | 0.59 | — | — | |
| SCHEMBL2985745 | 0.59 | — | — | |
| Isopropyl Alcohol SCHEMBL1270879 | 0.59 | — | — | |
| Isopropyl Alcohol SCHEMBL5322564 | 0.59 | — | — | |
| SCHEMBL22162 | 0.59 | — | — | |
| SCHEMBL3427685 | 0.59 | ALDH1A1 (0.62) | — | |
| SCHEMBL124683 | 0.59 | — | — | |
| SCHEMBL805878 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106442655-B | Measuring method of sensor using interdigital array electrode, measuring apparatus, and computer-readable medium storing measuring program | 爱科来株式会社 | 2021-07-23 | — | — | CN | disclosed |