Isobutanol

Isobutanol

SCHEMBL30065529

CC(C)CO.CC(C)CO.N

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.90
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 6/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.31
CA2 P00918 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Isobutanol SCHEMBL30065581 1.00 TSHR (0.90) TSHRTDP1ALDH1A1LMNAL3MBTL1
Isobutanol SCHEMBL2277484 1.00
Isobutanol SCHEMBL23887407 1.00
Isobutanol SCHEMBL8057963 0.95
Isobutanol SCHEMBL9014448 0.95
Isobutanol SCHEMBL969 0.95
Isobutanol SCHEMBL175952 0.95 TSHR (1.00) TSHRTDP1ALDH1A1LMNAL3MBTL1
Isobutanol SCHEMBL11800894 0.95 TSHR (1.00) TSHRTDP1ALDH1A1LMNAL3MBTL1
Isobutanol SCHEMBL16950267 0.91 TSHR (0.75) TSHRTDP1ALDH1A1LMNA
Isobutanol SCHEMBL11366415 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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115317408-A Transparent foaming bath oil with all-natural source and preparation method thereof 诺斯贝尔化妆品股份有限公司 2022-11-11 CN disclosed