Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Propylene Glycol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL5511131 | 1.00 | TDP1 (0.67) | — | |
| Propylene Glycol SCHEMBL29873191 | 0.82 | — | — | |
| Propylene Glycol SCHEMBL724028 | 0.82 | TDP1 (1.00) | — | |
| Propylene Glycol SCHEMBL7522896 | 0.82 | TDP1 (1.00) | — | |
| Propylene Glycol SCHEMBL3535 | 0.82 | — | — | |
| Propylene Glycol SCHEMBL15864609 | 0.82 | TDP1 (1.00) | — | |
| Propylene Glycol SCHEMBL161401 | 0.82 | TDP1 (1.00) | — | |
| Propylene Glycol SCHEMBL55583 | 0.82 | — | — | |
| Propylene Glycol SCHEMBL28578 | 0.82 | — | — | |
| Butanol SCHEMBL29262537 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090258944-A1 | METHOD FOR THE MANUFACTURE OF THERAPEUTIC COMPOUNDS AND COMPOSITIONS, COMPOUNDS AND COMPOSITIONS PRODUCED THEREWITH, AND THEIR USE | LARS E. GUSTAFSSON | 2009-10-15 | — | — | US | disclosed |
| WO-2008024866-A2 | GLYCERIN SYSTEMS | SANIMAX INDUSTRIES INC. (CA) | 2008-02-28 | — | — | WO | disclosed |
| US-20080048147-A1 | GLYCERIN SYSTEMS | SANIMAX INDUSTRIES INC. (CA) | 2008-02-28 | — | — | US | disclosed |
| US-4923972-A | Preparation of liquid formulations of basic azo dyes in carboxylic acid solution and subsequent heating | BASF AKTIENGESELLSCHAFT (DE) | 1990-05-08 | — | — | US | disclosed |