⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31185261 | 0.98 | — | — | |
| SCHEMBL24734200 | 0.88 | — | — | |
| SCHEMBL24733659 | 0.86 | — | — | |
| SCHEMBL25801572 | 0.86 | — | — | |
| SCHEMBL24733706 | 0.86 | — | — | |
| SCHEMBL24733662 | 0.84 | — | — | |
| SCHEMBL25801789 | 0.84 | — | — | |
| SCHEMBL25801540 | 0.83 | LMNA (0.34) | — | |
| SCHEMBL25801485 | 0.82 | HDAC3 (0.31) | — | |
| SCHEMBL24733718 | 0.82 | CTSS (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 |
|---|---|---|---|---|---|---|---|
| WO-2023127869-A1 | METHOD FOR PRODUCING N-ALKYL AMINO ACID AND PEPTIDE INCLUDING N-ALKYL AMINO ACID | 中外製薬株式会社 | 2023-07-06 | — | — | WO | disclosed |