⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8330112 | 0.98 | — | — | |
| SCHEMBL30887305 | 0.95 | — | — | |
| SCHEMBL5850213 | 0.76 | — | — | |
| SCHEMBL15064149 | 0.75 | — | — | |
| SCHEMBL1400956 | 0.75 | — | — | |
| SCHEMBL27880589 | 0.71 | — | — | |
| SCHEMBL27829686 | 0.71 | — | — | |
| SCHEMBL3548537 | 0.71 | — | — | |
| SCHEMBL27534111 | 0.71 | — | — | |
| SCHEMBL12095229 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114685293-B | Aryl quaternary ammonium salt Gemini surfactant and preparation method and application thereof | 中国石油天然气集团有限公司 | 2024-04-30 | — | — | CN | disclosed |
| CN-114685293-A | Aryl quaternary ammonium salt Gemini surfactant and preparation method and application thereof | 中国石油天然气集团有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-114409576-A | Aryl sulfonate surfactant and preparation method thereof | 中国石油天然气集团有限公司 | 2022-04-29 | — | — | CN | disclosed |