⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8772068 | 0.73 | FFAR3 (0.44) | — | |
| SCHEMBL1259853 | 0.73 | — | — | |
| SCHEMBL4618578 | 0.73 | — | — | |
| SCHEMBL2845059 | 0.73 | — | — | |
| SCHEMBL383651 | 0.73 | — | — | |
| SCHEMBL18513789 | 0.73 | — | — | |
| SCHEMBL10687072 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL4619114 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL4617790 | 0.71 | — | — | |
| SCHEMBL18950443 | 0.67 | TSHR (0.39) | — |
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-0805796-B1 | CELL ADHESION INHIBITORS | BIOGEN INC (US) | 2002-12-11 | — | — | EP | claimed |
| US-20240207425-A1 | AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2024-06-27 | — | — | US | disclosed |