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 SCHEMBL2591011 | 1.00 | — | — | |
| Propylene Glycol SCHEMBL16536046 | 0.85 | — | — | |
| Propylene Glycol SCHEMBL5693341 | 0.84 | — | — | |
| Propylene Glycol SCHEMBL1003896 | 0.84 | TDP1 (0.67) | — | |
| Propylene Glycol SCHEMBL28902492 | 0.84 | — | — | |
| Propylene Glycol SCHEMBL1004146 | 0.84 | — | — | |
| Propylene Glycol SCHEMBL1002868 | 0.84 | TDP1 (0.67) | — | |
| Propylene Glycol SCHEMBL28984545 | 0.81 | — | — | |
| Isobutyraldehyde SCHEMBL28217505 | 0.81 | TDP1 (0.62) | — | |
| Propylene Glycol SCHEMBL27486742 | 0.81 | TDP1 (0.62) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110274994-A1 | Catalyst and Liquid Combination for a Thermally Regenerative Fuel Cell | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2011-11-10 | — | — | US | disclosed |