⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19021952 | 0.82 | — | — | |
| SCHEMBL21439984 | 0.76 | PTGS1 (0.37) | — | |
| SCHEMBL8029089 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL12700692 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL159861 | 0.69 | — | — | |
| SCHEMBL10692063 | 0.68 | ACACB (0.32) | — | |
| SCHEMBL19021506 | 0.68 | PGD (0.32) | — | |
| SCHEMBL8366584 | 0.67 | — | — | |
| SCHEMBL25242735 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL5464437 | 0.66 | OR51E2 (0.38) | — |
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-2016043808-A1 | HIGH-CAPACITY ANION EXCHANGE MATERIAL | AQUANANO LLC (US) | 2016-03-24 | — | — | WO | disclosed |