⚠ 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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL11800894 | 0.83 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL969 | 0.83 | — | — | |
| Isobutanol SCHEMBL175952 | 0.83 | TSHR (1.00) | — | |
| Propylene Glycol SCHEMBL859904 | 0.81 | TDP1 (0.71) | — | |
| Isobutanol SCHEMBL11646083 | 0.81 | TSHR (0.53) | — | |
| Isobutanol SCHEMBL3686201 | 0.80 | — | — | |
| Isobutanol SCHEMBL23887407 | 0.79 | — | — | |
| Isobutanol SCHEMBL60555 | 0.79 | — | — | |
| Isobutanol SCHEMBL1308019 | 0.79 | TSHR (0.90) | — | |
| Isobutanol SCHEMBL14991373 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106470963-A | The manufacture method of the manufacture method of isobutene., the manufacture method of methacrylic acid and methyl methacrylate | 三菱丽阳株式会社 | 2017-03-01 | — | — | CN | disclosed |
| EP-2336341-A1 | Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step | Marliere, Philippe (FR) | 2011-06-22 | — | — | EP | disclosed |