⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9756912 | 0.85 | TDP1 (0.48) | — | |
| SCHEMBL22233639 | 0.81 | — | — | |
| SCHEMBL22689608 | 0.80 | TDP1 (0.45) | — | |
| Acetic Acid SCHEMBL27536519 | 0.80 | TDP1 (0.45) | — | |
| SCHEMBL17826864 | 0.79 | TDP1 (0.41) | — | |
| SCHEMBL28950119 | 0.79 | TSHR (0.64) | — | |
| SCHEMBL12239784 | 0.78 | — | — | |
| SCHEMBL2697467 | 0.78 | — | — | |
| SCHEMBL309720 | 0.78 | — | — | |
| SCHEMBL9756898 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022125791-A1 | TOLL-LIKE RECEPTOR AGONIST | UNIVERSITY OF MONTANA (US) | 2022-06-16 | — | — | WO | disclosed |