⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL289711 | 0.95 | — | — | |
| SCHEMBL27559326 | 0.91 | — | — | |
| SCHEMBL27573942 | 0.91 | — | — | |
| Ethylene SCHEMBL8344090 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27891684 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27908669 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27891688 | 0.87 | — | — | |
| Acetic Acid SCHEMBL530185 | 0.84 | FFAR3 (0.54) | — | |
| Acetic Acid SCHEMBL28518959 | 0.84 | FFAR3 (0.54) | — | |
| Acetic Acid SCHEMBL1367670 | 0.84 | FFAR3 (0.54) | — |
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-104394895-A | Method for producing surface-postcrosslinked water-absorbing polymer particles | BASF SE | 2015-03-04 | — | — | CN | disclosed |