⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29110547 | 0.94 | — | — | |
| SCHEMBL27958388 | 0.79 | — | — | |
| SCHEMBL27856393 | 0.70 | — | — | |
| SCHEMBL4495209 | 0.67 | — | — | |
| SCHEMBL5859076 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL600843 | 0.65 | — | — | |
| SCHEMBL6716656 | 0.65 | ALDH1A1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL28239650 | 0.65 | — | — | |
| SCHEMBL27569404 | 0.64 | — | — | |
| SCHEMBL8057901 | 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 |
|---|---|---|---|---|---|---|---|
| CN-115785454-B | Stain-resistant polymer, stain-resistant TPU composite material containing stain-resistant polymer, and preparation method and application of stain-resistant polymer | 万华化学集团股份有限公司 | 2023-11-17 | — | — | CN | disclosed |