⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28332005 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL576392 | 0.77 | — | — | |
| SCHEMBL577267 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL27483727 | 0.74 | — | — | |
| SCHEMBL6061460 | 0.72 | — | — | |
| SCHEMBL6061463 | 0.72 | — | — | |
| Acetic Acid SCHEMBL21681585 | 0.71 | FFAR3 (0.41) | — | |
| SCHEMBL23069513 | 0.70 | ALDH1A1 (0.52) | — | |
| SCHEMBL4449610 | 0.70 | LMNA (0.42) | — | |
| SCHEMBL18126339 | 0.70 | DGKA (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106946748-B | Deliver method, compound, composition and the carrier of 3-APS | BHI有限合资公司 | 2019-02-05 | — | — | CN | disclosed |
| US-9040553-B2 | Phenoxyisobutyric acid compounds and method of synthesis | Cell Viable Corporation (US) | 2015-05-26 | — | — | US | disclosed |
| US-20140350045-A1 | PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS | LALEZARI IRAJ (US) | 2014-11-27 | — | — | US | disclosed |
| EP-2616430-A2 | NOVEL PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHODS FOR SYNTHESIS | Cell Viable Corporation (US) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012050623-A2 | NOVEL PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHODS FOR SYNTHESIS | Cell Viable Corporation (US) | 2012-04-19 | — | — | WO | disclosed |
| US-20120071502-A1 | Novel phenoxyisobutyric acid compounds and methods for synthesis | Cell Viable Corporation (US) | 2012-03-22 | — | — | US | disclosed |