⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2491274 | 0.87 | SLC22A6 (0.50) | — | |
| Water SCHEMBL7227622 | 0.84 | SLC22A6 (0.47) | — | |
| SCHEMBL23225427 | 0.79 | — | — | |
| SCHEMBL289124 | 0.77 | — | — | |
| SCHEMBL448119 | 0.77 | — | — | |
| SCHEMBL10657150 | 0.77 | SLC22A6 (0.41) | — | |
| SCHEMBL287782 | 0.77 | — | — | |
| SCHEMBL10657948 | 0.77 | — | — | |
| SCHEMBL10657294 | 0.77 | SLC22A6 (0.41) | — | |
| SCHEMBL17234502 | 0.77 | — | — |
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-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |