⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27548159 | 1.00 | — | — | |
| SCHEMBL223812 | 0.82 | — | — | |
| SCHEMBL223813 | 0.82 | — | — | |
| SCHEMBL254738 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL20299895 | 0.80 | ALDH1A1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL20299896 | 0.80 | ALDH1A1 (0.56) | — | |
| SCHEMBL6672007 | 0.79 | ALDH1A1 (0.62) | — | |
| SCHEMBL6433 | 0.79 | — | — | |
| SCHEMBL7396758 | 0.79 | ALDH1A1 (0.62) | — | |
| SCHEMBL1183636 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1699333-A | Process for preparing 3,4-dihydroxy-2-amino butyric acid derivatives | UNIV XIAMEN (CN) | 2005-11-23 | — | — | CN | disclosed |
| US-5721234-A | TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE | WARNER-LAMBERT COMPANY (US) | 1998-02-24 | — | — | US | disclosed |