⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20243585 | 0.86 | — | — | |
| SCHEMBL12559718 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL15944115 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL26359543 | 0.81 | — | — | |
| SCHEMBL17689592 | 0.80 | — | — | |
| SCHEMBL20284089 | 0.80 | — | — | |
| SCHEMBL12446095 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL11915791 | 0.78 | ARG1 (0.30) | — | |
| SCHEMBL23463261 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL22386254 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024102956-A1 | KETO-AMIDE-BASED FIBROBLAST ACTIVATION PROTEIN-TARGETED LIGAND LINKED TO AN IMAGING OR THERAPEUTIC AGENT, COMPOSITIONS AND METHODS OF USE | PURDUE RESEARCH FOUNDATION (US) | 2024-05-16 | — | — | WO | disclosed |
| US-10662212-B2 | Carbohydrate ligands that bind to IGM antibodies against myelin-associated glycoprotein | UNIVERSITAT BASEL (CH) | 2020-05-26 | — | — | US | disclosed |