⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26088430 | 0.72 | HNF4A (0.35) | — | |
| SCHEMBL26087011 | 0.72 | AHR (0.34) | — | |
| SCHEMBL26088305 | 0.72 | AHR (0.34) | — | |
| SCHEMBL26088868 | 0.72 | AHR (0.34) | — | |
| SCHEMBL26086567 | 0.64 | LMNA (0.44) | — | |
| SCHEMBL31514430 | 0.64 | TSHR (0.45) | — | |
| SCHEMBL26086552 | 0.61 | AHR (0.38) | — | |
| SCHEMBL26088630 | 0.61 | ALDH1A1 (0.47) | — | |
| SCHEMBL26419161 | 0.61 | ALDH1A1 (0.47) | — | |
| SCHEMBL26089326 | 0.60 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230127797-A1 | AHR AGONISTS | ELI LILLY AND COMPANY | 2023-04-27 | — | — | US | disclosed |