Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Isobutanol. 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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL28539302 | 0.91 | TSHR (0.82) | — | |
| Isobutanol SCHEMBL14060861 | 0.91 | — | — | |
| Isobutanol SCHEMBL969 | 0.91 | — | — | |
| Isobutanol SCHEMBL11800894 | 0.91 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL175952 | 0.91 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL23672280 | 0.86 | — | — | |
| Isobutanol SCHEMBL60555 | 0.86 | — | — | |
| Isobutanol SCHEMBL14991373 | 0.86 | — | — | |
| Isobutanol SCHEMBL1308019 | 0.86 | TSHR (0.90) | — | |
| Isobutanol SCHEMBL9759733 | 0.86 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114478662-B | Synthesis method and application of fatty acid monoester sugar | 广东省科学院化工研究所 | 2023-10-13 | — | — | CN | disclosed |
| CN-114478662-A | Synthesis method and application of fatty acid monoester | 广东省科学院化工研究所 | 2022-05-13 | — | — | CN | disclosed |