⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16893305 | 0.73 | ACHE (0.38) | — | |
| Phosphoric Acid SCHEMBL9615917 | 0.70 | ANPEP (0.37) | — | |
| SCHEMBL6567851 | 0.70 | — | — | |
| SCHEMBL28909643 | 0.70 | CYP3A4 (0.31) | — | |
| SCHEMBL28909673 | 0.70 | CYP3A4 (0.31) | — | |
| SCHEMBL3477742 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL8842569 | 0.69 | ENPEP (0.38) | — | |
| SCHEMBL10712824 | 0.68 | — | — | |
| Formic Acid SCHEMBL2522790 | 0.67 | CYP2C19 (0.33) | — | |
| SCHEMBL28666074 | 0.66 | — | — |
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 |