⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13007103 | 0.87 | CYP3A4 (0.32) | — | |
| SCHEMBL25792829 | 0.78 | CA2 (0.32) | — | |
| SCHEMBL26280819 | 0.78 | HSD17B10 (0.31) | — | |
| SCHEMBL22646536 | 0.76 | — | — | |
| SCHEMBL15241267 | 0.76 | MEN1 (0.52) | — | |
| SCHEMBL15241254 | 0.75 | — | — | |
| SCHEMBL23945753 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL20443148 | 0.73 | — | — | |
| SCHEMBL24608208 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL2400553 | 0.73 | — | — |
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-2591354-A1 | COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT | Ardelyx, Inc. (US) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012006475-A1 | COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT | ARDELYX, INC. (US) | 2012-01-12 | — | — | WO | disclosed |