⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24465347 | 0.80 | — | — | |
| SCHEMBL15250498 | 0.75 | TP53 (0.39) | — | |
| SCHEMBL24465299 | 0.74 | VCP (0.33) | — | |
| SCHEMBL15250500 | 0.74 | — | — | |
| SCHEMBL24452998 | 0.74 | — | — | |
| SCHEMBL24465304 | 0.72 | TP53 (0.32) | — | |
| SCHEMBL22503215 | 0.71 | TP53 (0.62) | — | |
| SCHEMBL2572895 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL24452527 | 0.67 | — | — | |
| SCHEMBL24465395 | 0.67 | HCRTR2 (0.33) | — |
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 |