⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13803216 | 0.70 | — | — | |
| SCHEMBL8172834 | 0.70 | — | — | |
| SCHEMBL8447052 | 0.69 | — | — | |
| SCHEMBL16369051 | 0.69 | — | — | |
| SCHEMBL18697181 | 0.69 | — | — | |
| SCHEMBL21074372 | 0.69 | — | — | |
| SCHEMBL24338118 | 0.67 | — | — | |
| SCHEMBL369417 | 0.67 | — | — | |
| SCHEMBL14389730 | 0.67 | — | — | |
| SCHEMBL369416 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3862349-A1 | HYDRATED CRYSTALLINE POLYNUCLEAR METAL COMPLEX, HYDRATED CRYSTALLINE POLYNUCLEAR METAL COMPLEX INCLUDING A GUEST COMPOUND ANALYTE AND ITS USE IN A METHOD FOR DETERMINING MOLECULAR STRUCTURE OF THE GUEST COMPOUND ANALYTE | Merck Patent GmbH (DE) | 2021-08-11 | — | — | EP | disclosed |