⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9146893 | 0.83 | — | — | |
| SCHEMBL4630251 | 0.82 | — | — | |
| SCHEMBL16296172 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL902714 | 0.73 | — | — | |
| SCHEMBL10731186 | 0.71 | — | — | |
| SCHEMBL725791 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL11759252 | 0.71 | — | — | |
| SCHEMBL29190705 | 0.71 | — | — | |
| SCHEMBL8763633 | 0.69 | — | — | |
| SCHEMBL20176035 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114544802-A | High performance liquid chromatography analysis method of acrylamide resin monomer | 河北科技大学 | 2022-05-27 | — | — | CN | disclosed |
| CN-114544803-A | HPLC analysis method of photoresist resin monomer acrylate compound | 河北科技大学 | 2022-05-27 | — | — | CN | disclosed |
| US-7112277-B2 | Methods and systems for separating constituents of a highly aqueous fluid | AGILENT TECHNOLOGIS, INC. (US) | 2006-09-26 | — | — | US | disclosed |
| WO-2006058995-A2 | MULTIFUNCTIONALIZED MESOSTRUCTURED POROUS OXIDE | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) | 2006-06-08 | — | — | WO | disclosed |
| US-20040262224-A1 | Methods and systems for separating constituents of a highly aqueous fluid | AGILENT TECHNOLOGIES, INC. | 2004-12-30 | — | — | US | disclosed |