⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12287065 | 1.00 | — | — | |
| SCHEMBL20925405 | 0.79 | — | — | |
| SCHEMBL16409826 | 0.77 | SPHK2 (0.31) | — | |
| SCHEMBL19905653 | 0.75 | — | — | |
| SCHEMBL24351968 | 0.72 | ASGR1 (0.33) | — | |
| SCHEMBL20613792 | 0.72 | — | — | |
| SCHEMBL10282205 | 0.72 | THRB (0.43) | — | |
| SCHEMBL21134094 | 0.72 | — | — | |
| SCHEMBL19782050 | 0.72 | — | — | |
| SCHEMBL14642428 | 0.72 | — | — |
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-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 |