⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24452998 | 0.79 | — | — | |
| SCHEMBL24452996 | 0.77 | — | — | |
| SCHEMBL24452535 | 0.72 | TP53 (0.31) | — | |
| SCHEMBL24465313 | 0.72 | — | — | |
| SCHEMBL24453076 | 0.72 | — | — | |
| SCHEMBL24452532 | 0.71 | TP53 (0.32) | — | |
| SCHEMBL24452533 | 0.70 | TP53 (0.32) | — | |
| SCHEMBL24452531 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL24452999 | 0.68 | — | — | |
| SCHEMBL13829242 | 0.66 | — | — |
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-20220160281-A1 | BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2022-05-26 | — | — | US | disclosed |