⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4375909 | 0.75 | DYRK1A (0.32) | — | |
| SCHEMBL22207395 | 0.62 | NOS3 (0.39) | — | |
| SCHEMBL22208146 | 0.62 | CHEK1 (0.31) | — | |
| SCHEMBL7361765 | 0.60 | DYRK1A (0.41) | — | |
| SCHEMBL7841635 | 0.60 | HTT (0.34) | — | |
| SCHEMBL15111056 | 0.59 | BCL6 (0.33) | — | |
| SCHEMBL4375537 | 0.58 | TDP1 (0.54) | — | |
| SCHEMBL2593530 | 0.58 | CYP3A4 (0.56) | — | |
| SCHEMBL6739131 | 0.58 | PIK3CD (0.45) | — | |
| SCHEMBL11610661 | 0.57 | PLAU (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-12224040-B2 | Movable type method applied to protein-ligand binding | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2025-02-11 | — | — | US | disclosed |