⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1566869 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL21641695 | 0.92 | — | — | |
| Calcium SCHEMBL30740035 | 0.92 | — | — | |
| SCHEMBL21641702 | 0.92 | — | — | |
| Ethylene Glycol SCHEMBL18260164 | 0.83 | TSHR (0.42) | — | |
| SCHEMBL7170877 | 0.80 | — | — | |
| SCHEMBL8993334 | 0.77 | — | — | |
| SCHEMBL31096474 | 0.77 | — | — | |
| Glycerin SCHEMBL18260198 | 0.76 | ALDH1A1 (0.47) | — | |
| Pivalate SCHEMBL1830957 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117751098-A | Method for preparing block or gradient copolymer and copolymer prepared by same | 巴斯夫欧洲公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-117715885-A | Composition and its use in controlled activity water-based emulsion polymerization | 巴斯夫欧洲公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-117413028-A | Water-absorbent resin composition, absorbent body and absorbent article using same, and method for producing water-absorbent resin composition | 三大雅株式会社 | 2024-01-16 | — | — | CN | disclosed |
| CN-117396562-A | Water-absorbent resin composition, absorbent body and absorbent article using same, and method for producing water-absorbent resin composition | 三大雅株式会社 | 2024-01-12 | — | — | CN | disclosed |