⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8520966 | 0.90 | — | — | |
| SCHEMBL7737624 | 0.89 | — | — | |
| SCHEMBL27902773 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL5862569 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL30114779 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL27484002 | 0.84 | — | — | |
| SCHEMBL31324714 | 0.82 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL10885702 | 0.82 | — | — | |
| SCHEMBL20514675 | 0.82 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL31649022 | 0.82 | SMN1; SMN2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111356711-B | Ionic polymers and their use in biomass processing | 埃姆比昂技术公司 | 2022-06-10 | — | — | CN | disclosed |