Sugi Predict

Sugi Predict / Compounds / Isobutanol

Isobutanol

Isobutanol

SCHEMBL6152369

CC(C)C(O)C(C)(C)CO.CC(C)CO

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ TRPA1 O75762 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.36
▸ PTGS1 P23219 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL20721697 0.92 TRPA1 (0.45) TSHRTRPA1TDP1PTGS1KCNH2
SCHEMBL19645 0.92 TRPA1 (0.45) TSHRTRPA1TDP1PTGS1KCNH2
SCHEMBL17072023 0.92 TRPA1 (0.45) TSHRTRPA1TDP1PTGS1KCNH2
SCHEMBL10818718 0.90 TRPA1 (0.43) TSHRTRPA1TDP1PTGS1KCNH2
Glycerin SCHEMBL5175831 0.88 LMNA (0.43) TSHRTRPA1TDP1
SCHEMBL12489191 0.88 TRPA1 (0.39) TSHRTRPA1TDP1
Alcohol SCHEMBL6578240 0.87 TRPA1 (0.42) TSHRTRPA1TDP1PTGS1KCNH2
Ethylene Glycol SCHEMBL2832859 0.87 TRPA1 (0.42) TSHRTRPA1TDP1PTGS1KCNH2
Ethylene Glycol SCHEMBL28152293 0.87 TRPA1 (0.42) TSHRTRPA1TDP1PTGS1KCNH2
SCHEMBL28284514 0.85 TRPA1 (0.41) TSHRTRPA1TDP1PTGS1KCNH2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564262-B1 Colored liquid product for protection of substrate WAYSER ALAIN (FR) 2015-06-03 — — EP claimed
EP-1564262-A1 Colored liquid product for protection of substrate Wayser, Alain (FR) 2005-08-17 — — EP disclosed