⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11169722 | 0.86 | — | — | |
| SCHEMBL8441641 | 0.85 | — | — | |
| SCHEMBL17688446 | 0.71 | — | — | |
| SCHEMBL8607590 | 0.70 | — | — | |
| SCHEMBL28882259 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL9523334 | 0.66 | — | — | |
| SCHEMBL5152342 | 0.64 | — | — | |
| SCHEMBL3292882 | 0.64 | CA2 (0.35) | — | |
| SCHEMBL4446006 | 0.64 | — | — | |
| SCHEMBL13402783 | 0.63 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111405934-B | Method for isolating, separating, purifying or detecting acidic polar molecules | 沃特世科技公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-111405934-A | High purity chromatographic materials comprising ionizable modifiers for retention of acidic analytes | 沃特世科技公司 | 2020-07-10 | — | — | CN | disclosed |
| CN-105126792-A | HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER | WATERS TECHNOLOGIES CORP | 2015-12-09 | — | — | CN | disclosed |
| CN-102471513-A | High purity chromatographic materials comprising ionizable modifiers | WATERS TECHNOLOGIES CORP | 2012-05-23 | — | — | CN | disclosed |
| EP-0044418-B1 | PROCESS FOR THE PREPARATION OF IMIDAZOLIDINE TRIONES | BAYER AG (DE) | 1984-02-22 | — | — | EP | disclosed |
| US-4384122-A | Process for the production of imidazolidine triones | BAYER AKTIENGESELLSCHAFT (DE) | 1983-05-17 | — | — | US | disclosed |
| EP-0044418-A1 | Process for the preparation of imidazolidine triones | BAYER AG (DE) | 1982-01-27 | — | — | EP | disclosed |