⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1678918 | 1.00 | — | — | |
| SCHEMBL11982905 | 0.90 | — | — | |
| SCHEMBL12262722 | 0.90 | METAP1 (0.48) | — | |
| SCHEMBL20003525 | 0.90 | METAP1 (0.48) | — | |
| SCHEMBL2062321 | 0.87 | METAP1 (0.52) | — | |
| SCHEMBL22229853 | 0.87 | METAP1 (0.52) | — | |
| SCHEMBL1678720 | 0.84 | — | — | |
| SCHEMBL30837730 | 0.84 | PIK3CD (0.35) | — | |
| SCHEMBL1679067 | 0.82 | OPRM1 (0.48) | — | |
| SCHEMBL18851797 | 0.82 | TRPA1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115784922-A | Preparation method of (2S) -2-amino-4- (cyclopropyl/cyclobutyl) butyric acid | 苏州爱玛特生物科技有限公司 | 2023-03-14 | — | — | CN | disclosed |