⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10202926 | 1.00 | — | — | |
| SCHEMBL10202913 | 0.81 | — | — | |
| SCHEMBL10202928 | 0.71 | GABRR1 (0.30) | — | |
| SCHEMBL12050301 | 0.71 | — | — | |
| SCHEMBL15760350 | 0.70 | — | — | |
| SCHEMBL10202916 | 0.69 | — | — | |
| SCHEMBL13661916 | 0.69 | DPP4 (0.30) | — | |
| SCHEMBL13661918 | 0.67 | — | — | |
| SCHEMBL15760335 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL9883856 | 0.63 | — | — |
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-20120035214-A1 | RENIN INHIBITORS | MERCK CANADA INC. (CA) | 2012-02-09 | — | — | US | disclosed |