⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193746 | 0.96 | — | — | |
| SCHEMBL27794861 | 0.92 | — | — | |
| Water SCHEMBL28206435 | 0.92 | — | — | |
| SCHEMBL28782152 | 0.92 | — | — | |
| SCHEMBL27773661 | 0.92 | — | — | |
| SCHEMBL3064418 | 0.75 | — | — | |
| SCHEMBL3076368 | 0.75 | — | — | |
| Phosphoric Acid SCHEMBL28140261 | 0.73 | — | — | |
| SCHEMBL10532995 | 0.72 | — | — | |
| SCHEMBL3077157 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106883776-A | Expansion sealing composition and its product | 马来西亚挤压膨胀系统科技有限公司 | 2017-06-23 | — | — | CN | claimed |
| CN-106883776-A | Expansion sealing composition and its product | 马来西亚挤压膨胀系统科技有限公司 | 2017-06-23 | — | — | CN | disclosed |