⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4959422 | 0.88 | — | — | |
| Butane SCHEMBL9770092 | 0.72 | — | — | |
| SCHEMBL6846419 | 0.72 | — | — | |
| Butane SCHEMBL1296881 | 0.71 | — | — | |
| SCHEMBL8743623 | 0.68 | — | — | |
| SCHEMBL8846747 | 0.67 | — | — | |
| SCHEMBL6296953 | 0.67 | — | — | |
| SCHEMBL8718780 | 0.67 | — | — | |
| SCHEMBL1227350 | 0.67 | — | — | |
| Butane SCHEMBL4154491 | 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-7435841-B2 | Preparation of halohydrocarbyl phosphonic acid diesters | RHODIA INC. (US) | 2008-10-14 | — | — | US | disclosed |
| US-20070123492-A1 | Analogs of lysophosphatidic acid and methods of making and using thereof | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2007-05-31 | — | — | US | disclosed |
| EP-1615937-A2 | ANALOGS OF LYSOPHOSPHATIDIC ACID AND METHODS OF MAKING AND USING THEREOF | University of Utah Research Foundation (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2005086961-A2 | IMPROVED PREPARATION OF HALOHYDROCCARBYL PHOSPHONIC ACID DIESTRES | RHODIA INC. (US) | 2005-09-22 | — | — | WO | disclosed |
| US-20050203306-A1 | Preparation of halohydrocarbyl phosphonic acid diesters | RHODIA OPERATIONS (FR) | 2005-09-15 | — | — | US | disclosed |
| WO-2004092188-A2 | ANALOGS OF LYSOPHOSPHATIDIC ACID AND METHODS OF MAKING AND USING THEREOF | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2004-10-28 | — | — | WO | disclosed |