Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tetrahydrofuran. 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL29404 | 0.83 | — | — | |
| Tetrahydrofuran SCHEMBL10351710 | 0.83 | ALDH1A1 (0.61) | — | |
| Monoethanolamine SCHEMBL7873072 | 0.83 | — | — | |
| Tetrahydrofuran SCHEMBL28311130 | 0.83 | ALDH1A1 (0.61) | — | |
| Tetrahydrofuran SCHEMBL11751241 | 0.83 | — | — | |
| Tetrahydrofuran SCHEMBL28233745 | 0.83 | ALDH1A1 (0.61) | — | |
| Tetrahydrofuran SCHEMBL18762867 | 0.80 | ALDH1A1 (0.57) | — | |
| Ethylenediamine SCHEMBL11754311 | 0.80 | ALDH1A1 (0.57) | — | |
| Tetrahydrofuran SCHEMBL4960876 | 0.80 | ALDH1A1 (0.57) | — | |
| Ethylene Glycol SCHEMBL11406828 | 0.80 | ALDH1A1 (0.57) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3601496-A1 | COMPOSITIONS AND METHODS AND USES RELATING THERETO | Innospec Limited (GB) | 2020-02-05 | — | — | EP | disclosed |
| EP-3601497-A1 | COMPOSITION, METHOD AND USE | Innospec Limited (GB) | 2020-02-05 | — | — | EP | disclosed |
| WO-2018178687-A1 | COMPOSITIONS AND METHODS AND USES RELATING THERETO | INNOSPEC LIMITED (GB) | 2018-10-04 | — | — | WO | disclosed |
| WO-2018178692-A1 | COMPOSITION, METHOD AND USE | INNOSPEC LIMITED (GB) | 2018-10-04 | — | — | WO | disclosed |
| CN-101757985-B | Mineral flotation collectors | UNIV CENTRAL SOUTH | 2013-04-10 | — | — | CN | disclosed |
| CN-101757985-A | Mineral flotation collectors | UNIV CENTRAL SOUTH | 2010-06-30 | — | — | CN | disclosed |