⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21111223 | 0.84 | PTGIR (0.33) | — | |
| SCHEMBL26216583 | 0.83 | — | — | |
| SCHEMBL18721171 | 0.78 | — | — | |
| SCHEMBL16749338 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL17924726 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL17924744 | 0.77 | — | — | |
| SCHEMBL22108699 | 0.76 | — | — | |
| SCHEMBL18826932 | 0.76 | ALOX5 (0.34) | — | |
| SCHEMBL22108588 | 0.75 | NOS3 (0.33) | — | |
| SCHEMBL23935739 | 0.75 | NOS3 (0.33) | — |
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 |