⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12256715 | 0.93 | HTR1D (0.32) | — | |
| SCHEMBL13768916 | 0.93 | HTR1D (0.32) | — | |
| SCHEMBL19733594 | 0.93 | HTR1D (0.32) | — | |
| SCHEMBL22448482 | 0.93 | HTR1D (0.32) | — | |
| SCHEMBL21765336 | 0.93 | HTR1D (0.32) | — | |
| SCHEMBL8227905 | 0.93 | HTR1D (0.32) | — | |
| SCHEMBL5932373 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL14311915 | 0.88 | HTR1D (0.32) | — | |
| Hydrochloric Acid SCHEMBL15808481 | 0.88 | — | — | |
| SCHEMBL16906917 | 0.84 | — | — |
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-2887964-B1 | COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS | ARDELYX INC (US) | 2019-07-03 | — | — | EP | disclosed |