⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29344747 | 0.93 | P2RX7 (0.30) | — | |
| SCHEMBL29344736 | 0.92 | CXCR3 (0.32) | — | |
| SCHEMBL29344684 | 0.90 | POLB (0.30) | — | |
| SCHEMBL29344724 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL29344741 | 0.86 | CXCR3 (0.32) | — | |
| SCHEMBL29344739 | 0.85 | CXCR3 (0.33) | — | |
| SCHEMBL29344749 | 0.85 | P2RX7 (0.33) | — | |
| SCHEMBL29344717 | 0.82 | CDK2 (0.33) | — | |
| SCHEMBL29344732 | 0.81 | P2RX7 (0.31) | — | |
| SCHEMBL29344871 | 0.79 | PTPN1 (0.34) | — |
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-2024151992-A1 | PREPARATION OF A TYK2 INHIBITOR | VENTYX BIOSCIENCES, INC. (US) | 2024-07-18 | — | — | WO | disclosed |