⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL685470 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11802338 | 0.68 | — | — | |
| SCHEMBL8165245 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL18951866 | 0.62 | — | — | |
| SCHEMBL10893327 | 0.62 | — | — | |
| SCHEMBL12187286 | 0.62 | — | — | |
| SCHEMBL51912 | 0.61 | — | — | |
| SCHEMBL21779845 | 0.61 | — | — | |
| SCHEMBL4412602 | 0.60 | — | — | |
| SCHEMBL14336720 | 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 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 |