Isobutanol

Isobutanol

SCHEMBL23795332

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

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
PRKCA P17252 1/20 0.33

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
SCHEMBL36990 0.90 CYP2C19 (0.59) TSHRCYP2C19TDP1ALDH1A1CA2
SCHEMBL10834211 0.90 CYP2C19 (0.59) TSHRCYP2C19TDP1ALDH1A1CA2
Alcohol SCHEMBL20395043 0.88 CYP2C19 (0.52) TSHRCYP2C19TDP1ALDH1A1CA2
Ethylene Glycol SCHEMBL27955270 0.88 CYP2C19 (0.52) TSHRCYP2C19TDP1ALDH1A1CA2
SCHEMBL9659709 0.87 CYP2C19 (0.56) TSHRCYP2C19TDP1ALDH1A1CA2
Methane SCHEMBL9155165 0.87 CYP2C19 (0.56) TSHRCYP2C19TDP1ALDH1A1CA2
Ammonia Solution, Strong SCHEMBL7923599 0.87 CYP2C19 (0.56) TSHRCYP2C19TDP1ALDH1A1CA2
Fluoride SCHEMBL5203462 0.87 CYP2C19 (0.56) TSHRCYP2C19TDP1ALDH1A1CA2
Hydrogen Peroxide SCHEMBL16799548 0.87 CYP2C19 (0.56) CYP2C19TDP1ALDH1A1CA2ACHE
Water SCHEMBL3865217 0.87 CYP2C19 (0.56) TSHRCYP2C19TDP1ALDH1A1CA2

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
EP-3879340-A1 COATING MATERIAL FOR FORMATION OF LIGHT-DIFFUSING LAYER, FILM FOR PROJECTION SCREEN, AND PROJECTION SCREEN Riken Technos Corporation (JP) 2021-09-15 EP disclosed