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.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL9848989 | 0.97 | TSHR (0.58) | TSHRALDH1A1THRBTDP1 | |
| SCHEMBL160208 | 0.91 | TSHR (0.73) | TSHRALDH1A1THRBTDP1 | |
| SCHEMBL6836450 | 0.91 | TSHR (0.54) | TSHRALDH1A1THRBTDP1 | |
| Ethylene Glycol SCHEMBL8852973 | 0.89 | TSHR (0.66) | TSHRALDH1A1THRB | |
| Ethylene Glycol SCHEMBL244174 | 0.89 | TSHR (0.66) | TSHRALDH1A1THRB | |
| Ethylene SCHEMBL2156738 | 0.89 | TSHR (0.70) | TSHRALDH1A1THRBTDP1 | |
| Water SCHEMBL7715061 | 0.89 | TSHR (0.70) | TSHRALDH1A1THRBTDP1 | |
| 1,3-Butanediol SCHEMBL4976775 | 0.89 | TSHR (0.56) | TSHRALDH1A1THRB | |
| SCHEMBL11216297 | 0.88 | TSHR (0.55) | TSHRALDH1A1THRB | |
| SCHEMBL9710906 | 0.88 | TSHR (0.51) | TSHRALDH1A1THRBTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0459669-A2 | Use of polyethylenically unsaturated monomers in polymer polyol dispersants | ARCO Chemical Technology, L.P. (US) | 1991-12-04 | — | — | EP | disclosed |
| US-4193845-A | IRRADIATION POLYMERIZING HYDROXYETHYL AND/OR HYDROXYPROPYL ACRYLATE AND/OR METHACRYLATE IN FROZEN STATE | JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) | 1980-03-18 | — | — | US | disclosed |