⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43258 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL8888870 | 0.92 | — | — | |
| Iodide SCHEMBL28619013 | 0.92 | — | — | |
| SCHEMBL8083316 | 0.92 | — | — | |
| Bromide SCHEMBL30609919 | 0.92 | — | — | |
| Methanesulfonamide SCHEMBL4449728 | 0.88 | CA1 (0.61) | — | |
| Formic Acid SCHEMBL31302787 | 0.79 | CA1 (0.35) | — | |
| SCHEMBL9710368 | 0.75 | CA2 (0.44) | — | |
| SCHEMBL2129023 | 0.75 | — | — | |
| SCHEMBL8340714 | 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 |
|---|---|---|---|---|---|---|---|
| CN-108137545-A | TRIAZOLE AGONISTS OF THE APJ RECEPTOR | 美国安进公司 | 2018-06-08 | — | — | CN | disclosed |