⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL867285 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL866793 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL866792 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL1060147 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL1682715 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL820926 | 0.74 | — | — | |
| SCHEMBL820925 | 0.74 | — | — | |
| SCHEMBL11100545 | 0.74 | — | — | |
| SCHEMBL11349206 | 0.74 | CNR2 (0.42) | — | |
| SCHEMBL19036564 | 0.74 | — | — |
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-2003087170-A1 | POLYACRYLAMIDE HYDROGELS | GRADIPORE LIMITED (AU) | 2003-10-23 | — | — | WO | disclosed |