⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10525813 | 0.78 | CYP2C19 (0.34) | — | |
| SCHEMBL9019669 | 0.75 | — | — | |
| SCHEMBL10807348 | 0.72 | AOC3 (0.33) | — | |
| SCHEMBL6363021 | 0.71 | — | — | |
| SCHEMBL6367948 | 0.70 | HIF1A (0.44) | — | |
| SCHEMBL7855317 | 0.69 | LMNA (0.54) | — | |
| SCHEMBL5694337 | 0.69 | CSNK1E (0.38) | — | |
| SCHEMBL5698996 | 0.68 | — | — | |
| SCHEMBL10724815 | 0.67 | DAO (0.33) | — | |
| SCHEMBL4409393 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7122572-B2 | For use in Hydrogen Bonding Liquid Chromatography, environmental remediation by removal of undesired ions or neutral molecules, removal of phosphate for kidney dialysis, drug delivery, separation | BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) | 2006-10-17 | — | — | US | disclosed |
| US-7041819-B2 | Halogenated calixpyrroles and uses thereof | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2006-05-09 | — | — | US | disclosed |
| WO-2003018548-A2 | HALOGENATED CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES, AND USES THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2003-03-06 | — | — | WO | disclosed |
| US-20020115566-A1 | Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2002-08-22 | — | — | US | disclosed |
| US-20020026047-A1 | Calixpyrroles, calixpyridinopyrroles, and calixpyridines | BOARD OF REGENTS, THE | 2002-02-28 | — | — | US | disclosed |
| US-6262257-B1 | SELECTIVE ION- AND NEUTRAL MOLECULE-BINDING AGENTS FORMING SUPRAMOLECULAR ENSEMBLES, AND ION- AND NEUTRAL MOLECULE-SEPARATION AGENTS | BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM | 2001-07-17 | — | — | US | disclosed |