⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11102903 | 0.74 | — | — | |
| SCHEMBL15113920 | 0.73 | NOS2 (0.38) | — | |
| SCHEMBL19066633 | 0.69 | — | — | |
| SCHEMBL25659041 | 0.68 | BTK (0.30) | — | |
| SCHEMBL4368163 | 0.68 | NOS2 (0.32) | — | |
| SCHEMBL25658425 | 0.68 | — | — | |
| SCHEMBL31001739 | 0.67 | CES2 (0.32) | — | |
| SCHEMBL22140616 | 0.63 | EGLN1 (0.38) | — | |
| SCHEMBL25659042 | 0.63 | GRM2 (0.31) | — | |
| SCHEMBL10031817 | 0.61 | EPHX1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0746551-B1 | OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS | UNIV OHIO STATE RES FOUND (US) | 2002-09-04 | — | — | EP | disclosed |
| EP-0746551-A1 | OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1996-12-11 | — | — | EP | disclosed |
| US-5504108-A | ANTIAGGLOMERANTS, ANTIARTHRITIC AGENTS | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1996-04-02 | — | — | US | disclosed |
| WO-1995023139-A1 | OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1995-08-31 | — | — | WO | disclosed |
| US-5399721-A | Anticoagulant; prepared from aldehyde | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1995-03-21 | — | — | US | disclosed |