⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL310102 | 0.80 | — | — | |
| SCHEMBL14208207 | 0.75 | GAA (0.53) | — | |
| SCHEMBL12737313 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL12862600 | 0.75 | GAA (0.53) | — | |
| SCHEMBL4664749 | 0.75 | GAA (0.62) | — | |
| SCHEMBL4664754 | 0.74 | GAA (0.89) | — | |
| SCHEMBL11205163 | 0.74 | ALDH1A1 (0.51) | — | |
| SCHEMBL11983638 | 0.74 | ALDH1A1 (0.51) | — | |
| SCHEMBL2365151 | 0.72 | ALDH1A1 (1.00) | — | |
| SCHEMBL17522568 | 0.72 | ALDH1A1 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2714648-B1 | NEPRILYSIN INHIBITORS | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2017-08-16 | — | — | EP | disclosed |