⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18814590 | 0.59 | — | — | |
| SCHEMBL20233814 | 0.57 | — | — | |
| SCHEMBL13176014 | 0.55 | — | — | |
| SCHEMBL25447127 | 0.55 | — | — | |
| SCHEMBL8265762 | 0.55 | — | — | |
| SCHEMBL13620683 | 0.55 | — | — | |
| SCHEMBL14549525 | 0.55 | — | — | |
| SCHEMBL13620740 | 0.54 | TRPA1 (0.38) | — | |
| SCHEMBL18629195 | 0.54 | — | — | |
| SCHEMBL13149481 | 0.54 | — | — |
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-4166549-A1 | ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF | Etern Biopharma (Shanghai) Co., Ltd. (CN) | 2023-04-19 | — | — | EP | disclosed |