Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexane. 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28591976 | 0.94 | — | — | |
| Hexane SCHEMBL9557662 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL357364 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL8151140 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL11650566 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL9859565 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL5017645 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL399 | 0.94 | — | — | |
| Hexane SCHEMBL8705498 | 0.94 | TSHR (0.88) | — | |
| Decane SCHEMBL23499900 | 0.88 | TSHR (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12605404-B2 | Synthetic cellular membrane chemical ionophore delivery system comprising hexa-aqua ligand compositions | Ionic Alliance Foundation, Inc (US) | 2026-04-21 | — | — | US | disclosed |
| WO-2022265829-A1 | SYNTHETIC CELLULAR MEMBRANE CHEMICAL IONOPHORE DELIVERY SYSTEM COMPRISING HEXA-AQUA LIGAND COMPOSITIONS | IONIC ALLIANCE HOLDINGS, LLC (US) | 2022-12-22 | — | — | WO | disclosed |
| US-20220226371-A1 | Synthetic Cellular Membrane Chemical Ionophore Delivery System Comprising Hexa-Aqua Ligand Compositions | IONIC ALLIANCE FOUNDATION, INC. | 2022-07-21 | — | — | US | disclosed |