⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21271950 | 0.85 | MMP1 (0.40) | — | |
| SCHEMBL21271951 | 0.82 | ANPEP (0.47) | — | |
| SCHEMBL21271938 | 0.79 | S1PR2 (0.44) | — | |
| Diethylamine SCHEMBL11661532 | 0.77 | TP53 (0.44) | — | |
| SCHEMBL29745012 | 0.77 | S1PR2 (0.52) | — | |
| SCHEMBL29745021 | 0.76 | ANPEP (0.52) | — | |
| SCHEMBL21271959 | 0.76 | S1PR2 (0.55) | — | |
| SCHEMBL21272054 | 0.76 | S1PR2 (0.55) | — | |
| SCHEMBL21271992 | 0.76 | S1PR2 (0.55) | — | |
| SCHEMBL21272046 | 0.75 | — | — |
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-20190256437-A1 | Concentrated Liquid Compositions of Urease Inhibitors for Nitrogen Sources | SOILGENIC TECHNOLOGIES, LLC | 2019-08-22 | — | — | US | disclosed |