⚠ 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 | |
|---|---|---|---|---|
| Alanine SCHEMBL22616405 | 1.00 | — | — | |
| Alanine SCHEMBL11211793 | 0.90 | — | — | |
| Alanine SCHEMBL4854834 | 0.88 | GABRR1 (0.50) | — | |
| Alanine SCHEMBL20188174 | 0.88 | GABRR1 (0.50) | — | |
| Alanine SCHEMBL9064738 | 0.88 | — | — | |
| Alanine SCHEMBL20740651 | 0.88 | GABRR1 (0.55) | — | |
| Alanine SCHEMBL9397402 | 0.88 | — | — | |
| Alanine SCHEMBL6468817 | 0.88 | SLC7A5 (0.48) | — | |
| Alanine SCHEMBL11876922 | 0.88 | SLC7A5 (0.48) | — | |
| D-Alanine SCHEMBL2027760 | 0.87 | SLC7A5 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7452701-B2 | Methods for the preparation of β-amino acids | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-11-18 | — | — | US | disclosed |
| US-20030113882-A1 | Methods for the preparation of beta-amino acids | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2003-06-19 | — | — | US | disclosed |