⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8643000 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL6062402 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL20337904 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL20337844 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL20337956 | 0.77 | FAAH (0.36) | — | |
| SCHEMBL1688750 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL12045216 | 0.70 | TSHR (0.47) | — | |
| SCHEMBL10510441 | 0.70 | FAAH (0.34) | — | |
| SCHEMBL17847327 | 0.69 | — | — | |
| SCHEMBL19887778 | 0.69 | — | — |
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-2024161058-A1 | COMPOUNDS AND ANTIBODIES FOR THE IMMUNODETECTION OF ZEARALENONE | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) | 2024-08-08 | — | — | WO | disclosed |