⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12623761 | 0.63 | — | — | |
| SCHEMBL24637644 | 0.58 | — | — | |
| SCHEMBL24718634 | 0.57 | — | — | |
| SCHEMBL10159549 | 0.56 | PPM1B (0.33) | — | |
| SCHEMBL28296347 | 0.56 | CA1 (0.35) | — | |
| SCHEMBL24465293 | 0.55 | TP53 (0.31) | — | |
| SCHEMBL6049090 | 0.55 | CA1 (0.33) | — | |
| SCHEMBL24718651 | 0.54 | — | — | |
| SCHEMBL22503053 | 0.54 | — | — | |
| SCHEMBL13403138 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4006921-A2 | BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE | Shin-Etsu Chemical Co., Ltd. (JP) | 2022-06-01 | — | — | EP | disclosed |