⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12876588 | 0.75 | — | — | |
| SCHEMBL3351759 | 0.72 | — | — | |
| SCHEMBL5162473 | 0.72 | — | — | |
| SCHEMBL7088399 | 0.71 | — | — | |
| SCHEMBL23882171 | 0.71 | ACLY (0.41) | — | |
| SCHEMBL4849399 | 0.69 | — | — | |
| SCHEMBL10386372 | 0.69 | — | — | |
| SCHEMBL4854427 | 0.69 | — | — | |
| SCHEMBL5610978 | 0.69 | ALDH1A1 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL15453390 | 0.69 | ACLY (0.39) | — |
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-20170165292-A1 | CROSSLINKED CATION EXCHANGE POLYMERS, COMPOSITIONS AND USE IN TREATING HYPERKALEMIA | VIFOR (INTERNATIONAL) LTD. (CH) | 2017-06-15 | — | — | US | disclosed |