⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13862851 | 0.84 | KDM4C (0.31) | — | |
| SCHEMBL19383345 | 0.84 | KDM4C (0.31) | — | |
| SCHEMBL24611669 | 0.82 | — | — | |
| SCHEMBL31282481 | 0.81 | — | — | |
| SCHEMBL15879653 | 0.81 | — | — | |
| SCHEMBL15878937 | 0.81 | — | — | |
| SCHEMBL23598081 | 0.80 | SLC1A3 (0.36) | — | |
| SCHEMBL271911 | 0.79 | MEN1 (0.30) | — | |
| SCHEMBL9846511 | 0.78 | — | — | |
| SCHEMBL10538858 | 0.77 | SLC6A3 (0.40) | — |
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-3636656-A1 | METHOD FOR SYNTHESIZING PEPTIDE CONTAINING N-SUBSTITUTED AMINO ACID | Chugai Seiyaku Kabushiki Kaisha (JP) | 2020-04-15 | — | — | EP | disclosed |