⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23935739 | 0.80 | NOS3 (0.33) | — | |
| SCHEMBL22108588 | 0.80 | NOS3 (0.33) | — | |
| SCHEMBL23935301 | 0.80 | — | — | |
| SCHEMBL22108699 | 0.78 | — | — | |
| SCHEMBL21276627 | 0.75 | — | — | |
| SCHEMBL16992306 | 0.74 | GBA1 (0.30) | — | |
| SCHEMBL19978651 | 0.74 | GBA1 (0.30) | — | |
| SCHEMBL18776613 | 0.74 | GBA1 (0.30) | — | |
| SCHEMBL22108584 | 0.74 | — | — | |
| SCHEMBL23935163 | 0.71 | — | — |
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-3896056-A1 | AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2021-10-20 | — | — | EP | disclosed |