⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1759949 | 0.71 | — | — | |
| SCHEMBL8815797 | 0.62 | — | — | |
| SCHEMBL6992454 | 0.62 | — | — | |
| SCHEMBL1768253 | 0.62 | — | — | |
| SCHEMBL12019246 | 0.62 | — | — | |
| SCHEMBL12533285 | 0.62 | — | — | |
| SCHEMBL7789790 | 0.62 | — | — | |
| Hymexazol SCHEMBL20729 | 0.62 | — | — | |
| SCHEMBL5505249 | 0.60 | — | — | |
| Hymexazol SCHEMBL31379730 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651900-A1 | NEPRILYSIN INHIBITORS | Theravance, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012082857-A1 | NEPRILYSIN INHIBITORS | THERAVANCE, INC. (US) | 2012-06-21 | — | — | WO | disclosed |