⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18897983 | 0.87 | — | — | |
| SCHEMBL22432364 | 0.82 | — | — | |
| SCHEMBL21281785 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL18897904 | 0.80 | — | — | |
| SCHEMBL19808266 | 0.75 | — | — | |
| SCHEMBL20215431 | 0.75 | — | — | |
| SCHEMBL23974117 | 0.73 | — | — | |
| SCHEMBL18573467 | 0.72 | — | — | |
| SCHEMBL20306487 | 0.71 | — | — | |
| SCHEMBL121141 | 0.70 | CYP19A1 (0.35) | — |
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-11786160-B2 | Bio-electrode composition, bio-electrode, and method for manufacturing bio-electrode | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2023-10-17 | — | — | US | disclosed |
| US-20190254548-A1 | BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2019-08-22 | — | — | US | disclosed |