⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6852871 | 0.78 | — | — | |
| SCHEMBL23371775 | 0.78 | — | — | |
| SCHEMBL1676685 | 0.78 | — | — | |
| SCHEMBL14724083 | 0.76 | ADH1B (0.42) | — | |
| SCHEMBL12581270 | 0.73 | — | — | |
| SCHEMBL9637211 | 0.71 | PAX8 (0.46) | — | |
| SCHEMBL1657595 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL29160549 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL15684938 | 0.70 | — | — | |
| SCHEMBL2090482 | 0.70 | SLC6A4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4310093-A1 | AMINO ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR TREATING HEPATITIS, COMPRISING SAME | Prazertherapeutics Inc. (KR) | 2024-01-24 | — | — | EP | disclosed |