⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10666011 | 0.86 | ALDH1A1 (0.63) | — | |
| SCHEMBL8376223 | 0.77 | — | — | |
| SCHEMBL9525089 | 0.77 | — | — | |
| SCHEMBL24465389 | 0.75 | CHRNB2 (0.52) | — | |
| SCHEMBL7216548 | 0.75 | — | — | |
| SCHEMBL9085970 | 0.74 | CYP1A2 (0.44) | — | |
| Hydrochloric Acid SCHEMBL3588464 | 0.73 | ALDH1A1 (0.73) | — | |
| SCHEMBL5277669 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL24292320 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL9619002 | 0.72 | CYP1A2 (0.42) | — |
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-4309582-A1 | BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING THE SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2024-01-24 | — | — | EP | disclosed |
| EP-4306558-A1 | BIOELECTRODE, PRODUCTION METHOD FOR BIOELECTRODE, AND MEASUREMENT METHOD FOR BIOSIGNALS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2024-01-17 | — | — | EP | disclosed |