⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30915507 | 1.00 | — | — | |
| SCHEMBL11948899 | 0.96 | — | — | |
| SCHEMBL10005276 | 0.96 | — | — | |
| SCHEMBL12109465 | 0.90 | — | — | |
| SCHEMBL9714942 | 0.89 | — | — | |
| SCHEMBL17904715 | 0.88 | LMNA (0.31) | — | |
| SCHEMBL790520 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL19822569 | 0.86 | TSHR (0.37) | — | |
| SCHEMBL10029816 | 0.85 | TSHR (0.39) | — | |
| SCHEMBL26254168 | 0.85 | MEN1 (0.32) | — |
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-11839700-B2 | Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2023-12-12 | — | — | US | disclosed |