⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22503320 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL23350260 | 0.74 | — | — | |
| SCHEMBL16696532 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL16696568 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL16696552 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL4905007 | 0.72 | ALDH1A1 (0.31) | — | |
| Iodide SCHEMBL1027958 | 0.71 | ALDH1A1 (0.31) | — | |
| Iodide SCHEMBL612889 | 0.71 | ALDH1A1 (0.31) | — | |
| Iodide SCHEMBL1025190 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL28841374 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10792489-B2 | Bio-electrode composition, bio-electrode, and method for manufacturing the bio-electrode | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2020-10-06 | — | — | US | disclosed |