⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11882047 | 0.95 | — | — | |
| Isobutanol SCHEMBL175952 | 0.78 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL11800894 | 0.78 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL969 | 0.78 | — | — | |
| Isobutanol SCHEMBL23887407 | 0.74 | — | — | |
| Isobutanol SCHEMBL11366415 | 0.74 | — | — | |
| Isobutanol SCHEMBL60555 | 0.74 | — | — | |
| Propylene Glycol SCHEMBL55583 | 0.74 | — | — | |
| Propylene Glycol SCHEMBL724028 | 0.74 | TDP1 (1.00) | — | |
| Isobutanol SCHEMBL9759733 | 0.74 | TSHR (0.90) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024076715-A1 | METHODS AND COMPOSITIONS RELATING TO IMPROVED IONIC LIQUID ADJUVANTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2024-04-11 | — | — | WO | disclosed |