⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7422656 | 0.76 | DPP4 (0.34) | — | |
| SCHEMBL7425753 | 0.67 | SLC6A2 (0.34) | — | |
| SCHEMBL1258558 | 0.61 | — | — | |
| SCHEMBL17065259 | 0.60 | — | — | |
| SCHEMBL7993700 | 0.60 | — | — | |
| SCHEMBL30888418 | 0.56 | LTA4H (0.40) | — | |
| SCHEMBL4446778 | 0.54 | — | — | |
| SCHEMBL1768938 | 0.53 | — | — | |
| SCHEMBL9925413 | 0.53 | — | — | |
| SCHEMBL11624199 | 0.52 | HPGD (0.35) | — |
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-1995002596-A1 | AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1995-01-26 | — | — | WO | claimed |