⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24452902 | 0.80 | MCL1 (0.36) | — | |
| SCHEMBL24465385 | 0.77 | LTB4R (0.31) | — | |
| SCHEMBL24453045 | 0.76 | HSD11B1 (0.33) | — | |
| SCHEMBL24453051 | 0.74 | PTPN1 (0.36) | — | |
| SCHEMBL24465360 | 0.74 | MCL1 (0.40) | — | |
| SCHEMBL18195885 | 0.70 | KMT2A (0.47) | — | |
| SCHEMBL18195881 | 0.68 | MCL1 (0.42) | — | |
| SCHEMBL24465279 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL24453054 | 0.66 | ALDH1A1 (0.54) | — | |
| SCHEMBL24465367 | 0.64 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |