⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29980142 | 0.79 | BRD4 (0.31) | — | |
| SCHEMBL28252567 | 0.71 | — | — | |
| SCHEMBL2561874 | 0.68 | CYP2A6 (0.31) | — | |
| SCHEMBL9443405 | 0.66 | CRBN (0.35) | — | |
| SCHEMBL27983204 | 0.63 | BRD4 (0.41) | — | |
| SCHEMBL422814 | 0.63 | — | — | |
| SCHEMBL28940955 | 0.63 | — | — | |
| SCHEMBL3763 | 0.63 | — | — | |
| SCHEMBL40761 | 0.63 | — | — | |
| SCHEMBL8377723 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002032974-A2 | POLYMER AND ITS USE FOR THE TREATMENT AND/OR PREVENTION OF HYPERPHOSPHOREMIA | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-04-25 | — | — | WO | disclosed |