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 SCHEMBL724028 | 0.95 | TDP1 (1.00) | — | |
| Propylene Glycol SCHEMBL15864609 | 0.95 | TDP1 (1.00) | — | |
| Propylene Glycol SCHEMBL7522896 | 0.95 | TDP1 (1.00) | — | |
| Propylene Glycol SCHEMBL3535 | 0.95 | — | — | |
| Propylene Glycol SCHEMBL55583 | 0.95 | — | — | |
| Propylene Glycol SCHEMBL29873191 | 0.95 | — | — | |
| Propylene Glycol SCHEMBL28578 | 0.95 | — | — | |
| Propylene Glycol SCHEMBL161401 | 0.95 | TDP1 (1.00) | — | |
| Propylene Glycol SCHEMBL25230484 | 0.91 | — | — | |
| Propylene Glycol SCHEMBL8945403 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109761750-B | Ester exchange catalyst with biological activity, synthetic method thereof and application thereof in preparation of degradable polyester | 浙江大学 | 2020-06-23 | — | — | CN | disclosed |
| CN-109761750-A | A kind of biologically active ester exchange catalyst and its synthetic method and preparing the application in degradable polyester | 浙江大学 | 2019-05-17 | — | — | CN | disclosed |