⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20691779 | 0.83 | — | — | |
| SCHEMBL18457350 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL21281795 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL18634035 | 0.66 | SLC18A2 (0.32) | — | |
| SCHEMBL20215495 | 0.64 | — | — | |
| SCHEMBL19335325 | 0.64 | — | — | |
| SCHEMBL18400957 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL12589390 | 0.64 | CHRM2 (0.34) | — | |
| SCHEMBL12112110 | 0.63 | NAAA (0.38) | — | |
| SCHEMBL23963206 | 0.62 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11071485-B2 | Bio-electrode composition, bio-electrode, and method for manufacturing bio-electrode | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-07-27 | — | — | US | disclosed |
| US-20180168470-A1 | BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-06-21 | — | — | US | disclosed |