⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8137652 | 0.71 | — | — | |
| SCHEMBL276239 | 0.71 | — | — | |
| SCHEMBL277329 | 0.71 | — | — | |
| SCHEMBL11108272 | 0.71 | — | — | |
| SCHEMBL2498791 | 0.69 | — | — | |
| SCHEMBL22396513 | 0.69 | ACLY (0.46) | — | |
| SCHEMBL28865225 | 0.69 | ACLY (0.46) | — | |
| Hydrochloric Acid SCHEMBL2585291 | 0.69 | ACLY (0.46) | — | |
| SCHEMBL3345057 | 0.69 | — | — | |
| SCHEMBL2590354 | 0.69 | ACLY (0.46) | — |
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-108137728-B | Water-absorbent resin particles and method for producing same | 三大雅株式会社 | 2020-12-08 | — | — | CN | disclosed |