⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1882976 | 0.87 | GAA (0.48) | — | |
| SCHEMBL9184806 | 0.87 | GAA (0.48) | — | |
| SCHEMBL10723702 | 0.84 | CA2 (0.45) | — | |
| SCHEMBL28442544 | 0.75 | CA2 (0.38) | — | |
| SCHEMBL5406500 | 0.71 | GAA (0.52) | — | |
| SCHEMBL1843054 | 0.71 | — | — | |
| SCHEMBL5072572 | 0.71 | POLB (0.52) | — | |
| SCHEMBL28492500 | 0.70 | F2 (0.46) | — | |
| SCHEMBL22179999 | 0.69 | F2 (0.50) | — | |
| SCHEMBL23464922 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998042657-A9 | SYNTHESIS OF α,β-SUBSTITUTED AMINO AMIDES, ESTERS AND ACIDS | — | 1999-01-28 | — | — | WO | disclosed |
| WO-1998042657-A1 | SYNTHESIS OF α,β-SUBSTITUTED AMINO AMIDES, ESTERS AND ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-10-01 | — | — | WO | disclosed |