⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1683508 | 0.71 | LMNA (0.39) | — | |
| SCHEMBL13350899 | 0.67 | — | — | |
| SCHEMBL8665417 | 0.67 | LAP3 (0.30) | — | |
| SCHEMBL7263115 | 0.67 | LPAR2 (0.32) | — | |
| SCHEMBL210662 | 0.66 | — | — | |
| SCHEMBL292577 | 0.66 | KDM4E (0.30) | — | |
| SCHEMBL210661 | 0.66 | — | — | |
| SCHEMBL22469164 | 0.65 | CPA1 (0.37) | — | |
| SCHEMBL2370207 | 0.65 | CPA1 (0.37) | — | |
| SCHEMBL7263117 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6646160-B2 | Contacting an aqueous solution of a primary aminoalcohol with a strong hydroxide base in the presence of an metallic copper containing catalyst to form a reaction mixture; reacting mixture to convert primary alcohol to a carboxylic acid salt | MONSANTO TECHNOLOGY, LLC | 2003-11-11 | — | — | US | claimed |