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 SCHEMBL988548 | 0.96 | TDP1 (0.83) | — | |
| Propylene Glycol SCHEMBL28349323 | 0.96 | TDP1 (0.83) | — | |
| Propylene Glycol SCHEMBL600550 | 0.96 | — | — | |
| Propylene Glycol SCHEMBL5908157 | 0.92 | — | — | |
| Propylene Glycol SCHEMBL9514617 | 0.92 | — | — | |
| Propylene Glycol SCHEMBL9514614 | 0.92 | TDP1 (0.91) | — | |
| Propylene Glycol SCHEMBL27905515 | 0.92 | TDP1 (0.91) | — | |
| Propylene Glycol SCHEMBL3862817 | 0.92 | — | — | |
| Propylene Glycol SCHEMBL5478314 | 0.92 | — | — | |
| Propylene Glycol SCHEMBL6903639 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040067216-A1 | Hiv protease inhibitors supported on cation exchange resins for oral administration | KARKI SHYAM B (US) | 2004-04-08 | — | — | US | disclosed |
| WO-2002067683-A1 | HIV PROTEASE INHIBITORS SUPPORTED ON CATION EXCHANGE RESINS FOR ORAL ADMINISTRATION | MERCK & CO., INC. (US) | 2002-09-06 | — | — | WO | disclosed |