⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15918968 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL3079689 | 0.65 | FLT3 (0.44) | — | |
| SCHEMBL6217374 | 0.59 | EGLN2 (0.41) | — | |
| SCHEMBL12653259 | 0.56 | SSTR4 (0.41) | — | |
| SCHEMBL260258 | 0.56 | CDK8 (0.56) | — | |
| SCHEMBL259910 | 0.56 | KDM4E (0.41) | — | |
| SCHEMBL24853168 | 0.56 | — | — | |
| SCHEMBL10044578 | 0.56 | — | — | |
| SCHEMBL15918975 | 0.56 | PDE10A (0.36) | — | |
| SCHEMBL5040246 | 0.56 | NUDT1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023110138-A1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-06-22 | — | — | WO | disclosed |
| WO-2023275337-A1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-01-05 | — | — | WO | disclosed |
| WO-2023275336-A1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-01-05 | — | — | WO | disclosed |
| WO-2023275333-A1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-01-05 | — | — | WO | disclosed |