⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1988893 | 0.90 | — | — | |
| SCHEMBL3481902 | 0.90 | — | — | |
| SCHEMBL619037 | 0.89 | — | — | |
| SCHEMBL28586460 | 0.86 | — | — | |
| SCHEMBL28586448 | 0.86 | — | — | |
| SCHEMBL8778094 | 0.86 | — | — | |
| SCHEMBL28729 | 0.82 | — | — | |
| SCHEMBL3481855 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL28594578 | 0.78 | — | — | |
| SCHEMBL28604272 | 0.78 | — | — |
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-2005049586-A1 | PROCESS FOR PRODUCTION OF (S) -N-PENTANOYL-N-[[2’-(1H-TETRAZOLE-5YL) [1,1’-BIPHENYL]-4-YL]METHYL]-L-VALINE | BELUPO-LIJEKOVI KOZMETIKA D.D. (HR) | 2005-06-02 | — | — | WO | claimed |