⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12336688 | 0.80 | — | — | |
| Tert-Butyl Formate SCHEMBL1671 | 0.72 | — | — | |
| SCHEMBL9865518 | 0.72 | — | — | |
| Tert-Butyl Formate SCHEMBL30378535 | 0.72 | TDP1 (1.00) | — | |
| Tert-Butyl Formate SCHEMBL15687802 | 0.69 | — | — | |
| Tert-Butyl Formate SCHEMBL28465801 | 0.69 | — | — | |
| Tert-Butyl Formate SCHEMBL4984399 | 0.69 | — | — | |
| Tert-Butyl Formate SCHEMBL9398245 | 0.69 | — | — | |
| SCHEMBL9042439 | 0.67 | — | — | |
| SCHEMBL12350125 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2014042263-A1 | NOVEL RENIN INHIBITOR | 田辺三菱製薬株式会社 (JP) | 2014-03-20 | — | — | WO | disclosed |