⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19417443 | 0.78 | — | — | |
| SCHEMBL804957 | 0.78 | — | — | |
| SCHEMBL6736147 | 0.76 | — | — | |
| SCHEMBL12134207 | 0.74 | CETP (0.31) | — | |
| SCHEMBL13048856 | 0.72 | CYP2D6 (0.30) | — | |
| SCHEMBL22222376 | 0.70 | — | — | |
| SCHEMBL2627104 | 0.69 | — | — | |
| SCHEMBL26305316 | 0.68 | — | — | |
| SCHEMBL18880028 | 0.67 | DPP4 (0.31) | — | |
| SCHEMBL9969489 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10272103-B2 | Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants | RELYPSA, INC. (US) | 2019-04-30 | — | — | US | disclosed |